CID 53743

Vufb-9069

Structural Information

Molecular Formula
C28H29ClN4O
SMILES
C1CN(CCN1CCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C28H29ClN4O/c29-23-12-13-26-25(20-23)28(22-8-3-1-4-9-22)30-21-27(34)33(26)15-7-14-31-16-18-32(19-17-31)24-10-5-2-6-11-24/h1-6,8-13,20H,7,14-19,21H2
InChIKey
WHRDCHPONAMGPJ-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-1-[3-(4-phenylpiperazin-1-yl)propyl]-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.203 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.21028 223.2
[M+Na]+ 495.19222 238.7
[M+NH4]+ 490.23682 229.7
[M+K]+ 511.16616 228.4
[M-H]- 471.19572 230.0
[M+Na-2H]- 493.17767 231.7
[M]+ 472.20245 227.8
[M]- 472.20355 227.8
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.