CID 6445211

7-chloro-1-cinnamoyl-5-phenyl-1h-1,5-benzodiazepine-2,4(3h,5h)-dione

Structural Information

Molecular Formula
C24H17ClN2O3
SMILES
C1C(=O)N(C2=C(C=CC(=C2)Cl)N(C1=O)C(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H17ClN2O3/c25-18-12-13-20-21(15-18)26(19-9-5-2-6-10-19)23(29)16-24(30)27(20)22(28)14-11-17-7-3-1-4-8-17/h1-15H,16H2/b14-11+
InChIKey
LBAVFVNGGVNSJN-SDNWHVSQSA-N
Compound name
7-chloro-5-phenyl-1-[(E)-3-phenylprop-2-enoyl]-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.09277 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.10005 199.6
[M+Na]+ 439.08199 208.1
[M-H]- 415.08549 208.0
[M+NH4]+ 434.12659 208.3
[M+K]+ 455.05593 205.0
[M+H-H2O]+ 399.09003 189.2
[M+HCOO]- 461.09097 211.6
[M+CH3COO]- 475.10662 208.1
[M+Na-2H]- 437.06744 200.3
[M]+ 416.09222 198.1
[M]- 416.09332 198.1
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

patents stripe