CID 5279385

Schembl642773

Structural Information

Molecular Formula
C22H19N3O3
SMILES
CC1=C(OC(=C1)C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4)C
InChI
InChI=1S/C22H19N3O3/c1-13-12-18(28-14(13)2)21(26)25-20-22(27)23-17-11-7-6-10-16(17)19(24-20)15-8-4-3-5-9-15/h3-12,20H,1-2H3,(H,23,27)(H,25,26)
InChIKey
FCBSUZOSPAIZHX-UHFFFAOYSA-N
Compound name
4,5-dimethyl-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

1
References

21
Patents

373.14264 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.14992 192.0
[M+Na]+ 396.13186 199.1
[M-H]- 372.13536 201.4
[M+NH4]+ 391.17646 201.3
[M+K]+ 412.10580 198.6
[M+H-H2O]+ 356.13990 182.8
[M+HCOO]- 418.14084 209.5
[M+CH3COO]- 432.15649 201.3
[M+Na-2H]- 394.11731 192.9
[M]+ 373.14209 189.7
[M]- 373.14319 189.7
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.