PubChemLite - Bpn-15606 (C23H23FN6O)

Structural Information

Molecular Formula

SMILES

CC1=CC(=NN=C1N[C@@H](C)C2=CC=C(C=C2)F)C3=NC(=C(C=C3)N4C=C(N=C4)C)OC

InChI

InChI=1S/C23H23FN6O/c1-14-11-20(28-29-22(14)26-16(3)17-5-7-18(24)8-6-17)19-9-10-21(23(27-19)31-4)30-12-15(2)25-13-30/h5-13,16H,1-4H3,(H,26,29)/t16-/m0/s1

InChIKey

JZCREVMHGYOLRL-INIZCTEOSA-N

Compound name

N-[(1S)-1-(4-fluorophenyl)ethyl]-6-[6-methoxy-5-(4-methylimidazol-1-yl)pyridin-2-yl]-4-methylpyridazin-3-amine

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]+	419.19902	203.4
[M+Na]+	441.18096	212.5
[M-H]-	417.18446	209.6
[M+NH4]+	436.22556	208.1
[M+K]+	457.15490	204.4
[M+H-H2O]+	401.18900	189.1
[M+HCOO]-	463.18994	220.0
[M+CH3COO]-	477.20559	211.3
[M+Na-2H]-	439.16641	203.1
[M]+	418.19119	204.9
[M]-	418.19229	204.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

419.19902

203.4

[M+Na]+

441.18096

212.5

[M-H]-

417.18446

209.6

[M+NH4]+

436.22556

208.1

[M+K]+

457.15490

204.4

[M+H-H2O]+

401.18900

189.1

[M+HCOO]-

463.18994

220.0

[M+CH3COO]-

477.20559

211.3

[M+Na-2H]-

439.16641

203.1

[M]+

418.19119

204.9

[M]-

418.19229

204.9

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

Bpn-15606

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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