PubChemLite - Bms-932481 (C24H24FN7O)

Structural Information

Molecular Formula

SMILES

CC1=NN(C=N1)C2=C(C=C(C=C2)NC3=NC4=C(CC[C@H]4C5=CC=C(C=C5)F)C(=N3)NC)OC

InChI

InChI=1S/C24H24FN7O/c1-14-27-13-32(31-14)20-11-8-17(12-21(20)33-3)28-24-29-22-18(15-4-6-16(25)7-5-15)9-10-19(22)23(26-2)30-24/h4-8,11-13,18H,9-10H2,1-3H3,(H2,26,28,29,30)/t18-/m0/s1

InChIKey

NDVMOVOEROCRIO-SFHVURJKSA-N

Compound name

(7S)-7-(4-fluorophenyl)-2-N-[3-methoxy-4-(3-methyl-1,2,4-triazol-1-yl)phenyl]-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine

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]+	446.20992	206.2
[M+Na]+	468.19186	215.1
[M-H]-	444.19536	213.9
[M+NH4]+	463.23646	212.5
[M+K]+	484.16580	206.8
[M+H-H2O]+	428.19990	192.6
[M+HCOO]-	490.20084	223.8
[M+CH3COO]-	504.21649	214.1
[M+Na-2H]-	466.17731	205.4
[M]+	445.20209	207.1
[M]-	445.20319	207.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

446.20992

206.2

[M+Na]+

468.19186

215.1

[M-H]-

444.19536

213.9

[M+NH4]+

463.23646

212.5

[M+K]+

484.16580

206.8

[M+H-H2O]+

428.19990

192.6

[M+HCOO]-

490.20084

223.8

[M+CH3COO]-

504.21649

214.1

[M+Na-2H]-

466.17731

205.4

[M]+

445.20209

207.1

[M]-

445.20319

207.1

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

Bms-932481

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe