CID 5279394

Schembl642815

Structural Information

Molecular Formula
C21H17N3O3
SMILES
CC1=CC=C(O1)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H17N3O3/c1-13-11-12-17(27-13)20(25)24-19-21(26)22-16-10-6-5-9-15(16)18(23-19)14-7-3-2-4-8-14/h2-12,19H,1H3,(H,22,26)(H,24,25)
InChIKey
HKRHQDABGPANNJ-UHFFFAOYSA-N
Compound name
5-methyl-N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

359.12698 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.13426 187.0
[M+Na]+ 382.11620 193.7
[M-H]- 358.11970 196.2
[M+NH4]+ 377.16080 196.5
[M+K]+ 398.09014 193.1
[M+H-H2O]+ 342.12424 177.7
[M+HCOO]- 404.12518 204.8
[M+CH3COO]- 418.14083 196.4
[M+Na-2H]- 380.10165 189.0
[M]+ 359.12643 184.0
[M]- 359.12753 184.0
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.