CID 14205

1110-46-9

Structural Information

Molecular Formula
C24H28ClFN4O2
SMILES
C1CN(CCN1CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F)CCO
InChI
InChI=1S/C24H28ClFN4O2/c25-18-6-7-22-20(16-18)24(19-4-1-2-5-21(19)26)27-17-23(32)30(22)9-3-8-28-10-12-29(13-11-28)14-15-31/h1-2,4-7,16,31H,3,8-15,17H2
InChIKey
WYYQEYHVMMAPLY-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-fluorophenyl)-1-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.18848 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.19576 211.4
[M+Na]+ 481.17770 218.0
[M-H]- 457.18120 213.7
[M+NH4]+ 476.22230 215.4
[M+K]+ 497.15164 213.8
[M+H-H2O]+ 441.18574 196.7
[M+HCOO]- 503.18668 215.8
[M+CH3COO]- 517.20233 216.4
[M+Na-2H]- 479.16315 209.5
[M]+ 458.18793 207.0
[M]- 458.18903 207.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.