CID 15648

1755-83-5

Structural Information

Molecular Formula
C22H24ClFN4O
SMILES
CN1CCN(CC1)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4F
InChI
InChI=1S/C22H24ClFN4O/c1-26-8-10-27(11-9-26)12-13-28-20-7-6-16(23)14-18(20)22(25-15-21(28)29)17-4-2-3-5-19(17)24/h2-7,14H,8-13,15H2,1H3
InChIKey
FADQZASOAAEESG-UHFFFAOYSA-N
Compound name
7-chloro-5-(2-fluorophenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

414.16226 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.16954 200.6
[M+Na]+ 437.15148 208.8
[M-H]- 413.15498 204.4
[M+NH4]+ 432.19608 207.1
[M+K]+ 453.12542 204.6
[M+H-H2O]+ 397.15952 186.0
[M+HCOO]- 459.16046 206.9
[M+CH3COO]- 473.17611 207.3
[M+Na-2H]- 435.13693 199.9
[M]+ 414.16171 196.0
[M]- 414.16281 196.0
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.