PubChemLite - Bms-754807 (C23H24FN9O)

Structural Information

Molecular Formula

SMILES

C[C@]1(CCCN1C2=NN3C=CC=C3C(=N2)NC4=NNC(=C4)C5CC5)C(=O)NC6=CN=C(C=C6)F

InChI

InChI=1S/C23H24FN9O/c1-23(21(34)26-15-7-8-18(24)25-13-15)9-3-10-32(23)22-28-20(17-4-2-11-33(17)31-22)27-19-12-16(29-30-19)14-5-6-14/h2,4,7-8,11-14H,3,5-6,9-10H2,1H3,(H,26,34)(H2,27,28,29,30,31)/t23-/m0/s1

InChIKey

LQVXSNNAFNGRAH-QHCPKHFHSA-N

Compound name

(2S)-1-[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]-N-(6-fluoropyridin-3-yl)-2-methylpyrrolidine-2-carboxamide

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	462.21605	205.4
[M+Na]+	484.19799	214.9
[M-H]-	460.20149	213.1
[M+NH4]+	479.24259	206.9
[M+K]+	500.17193	205.3
[M+H-H2O]+	444.20603	194.7
[M+HCOO]-	506.20697	220.4
[M+CH3COO]-	520.22262	211.8
[M+Na-2H]-	482.18344	203.1
[M]+	461.20822	205.8
[M]-	461.20932	205.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.21605

205.4

[M+Na]+

484.19799

214.9

[M-H]-

460.20149

213.1

[M+NH4]+

479.24259

206.9

[M+K]+

500.17193

205.3

[M+H-H2O]+

444.20603

194.7

[M+HCOO]-

506.20697

220.4

[M+CH3COO]-

520.22262

211.8

[M+Na-2H]-

482.18344

203.1

[M]+

461.20822

205.8

[M]-

461.20932

205.8

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Bms-754807

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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