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

23
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

literature stripe

Patent stripe

patents stripe