CID 213513

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

Structural Information

Molecular Formula
C20H13ClN2O3S
SMILES
C1C(=O)N(C2=C(C=CC(=C2)Cl)N(C1=O)C(=O)C3=CC=CS3)C4=CC=CC=C4
InChI
InChI=1S/C20H13ClN2O3S/c21-13-8-9-15-16(11-13)22(14-5-2-1-3-6-14)18(24)12-19(25)23(15)20(26)17-7-4-10-27-17/h1-11H,12H2
InChIKey
OSCGHEBKVYMQSK-UHFFFAOYSA-N
Compound name
7-chloro-5-phenyl-1-(thiophene-2-carbonyl)-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.03354 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.04082 191.0
[M+Na]+ 419.02276 204.2
[M+NH4]+ 414.06736 197.9
[M+K]+ 434.99670 197.3
[M-H]- 395.02626 195.3
[M+Na-2H]- 417.00821 197.6
[M]+ 396.03299 194.9
[M]- 396.03409 194.9
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.