CID 213948

Brn 0855250

Structural Information

Molecular Formula
C24H21ClN2O2
SMILES
CC1=CC=C(C=C1)OCCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C24H21ClN2O2/c1-17-7-10-20(11-8-17)29-14-13-27-22-12-9-19(25)15-21(22)24(26-16-23(27)28)18-5-3-2-4-6-18/h2-12,15H,13-14,16H2,1H3
InChIKey
PACMTBROBYMELE-UHFFFAOYSA-N
Compound name
7-chloro-1-[2-(4-methylphenoxy)ethyl]-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.12915 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.13643 199.7
[M+Na]+ 427.11837 216.0
[M+NH4]+ 422.16297 207.1
[M+K]+ 443.09231 206.5
[M-H]- 403.12187 205.8
[M+Na-2H]- 425.10382 208.9
[M]+ 404.12860 204.4
[M]- 404.12970 204.4
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.