CID 213507

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

Structural Information

Molecular Formula
C20H13ClN2O4
SMILES
C1C(=O)N(C2=C(C=CC(=C2)Cl)N(C1=O)C(=O)C3=CC=CO3)C4=CC=CC=C4
InChI
InChI=1S/C20H13ClN2O4/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
JWWKMGHKKSUXBT-UHFFFAOYSA-N
Compound name
7-chloro-1-(furan-2-carbonyl)-5-phenyl-1,5-benzodiazepine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.0564 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.06368 187.0
[M+Na]+ 403.04562 196.8
[M-H]- 379.04912 197.2
[M+NH4]+ 398.09022 197.7
[M+K]+ 419.01956 195.9
[M+H-H2O]+ 363.05366 177.9
[M+HCOO]- 425.05460 200.3
[M+CH3COO]- 439.07025 197.4
[M+Na-2H]- 401.03107 187.4
[M]+ 380.05585 187.7
[M]- 380.05695 187.7
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.