CID 5279115

N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carbonyl)morpholine-4-carboxamide

Structural Information

Molecular Formula
C21H20N4O4
SMILES
C1COCCN1C(=O)NC(=O)C2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H20N4O4/c26-19-18(20(27)24-21(28)25-10-12-29-13-11-25)23-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)22-19/h1-9,18H,10-13H2,(H,22,26)(H,24,27,28)
InChIKey
OJOWPRDJPIFHRK-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepine-3-carbonyl)morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

392.14847 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.15575 193.5
[M+Na]+ 415.13769 196.6
[M-H]- 391.14119 199.5
[M+NH4]+ 410.18229 197.8
[M+K]+ 431.11163 197.3
[M+H-H2O]+ 375.14573 181.6
[M+HCOO]- 437.14667 204.5
[M+CH3COO]- 451.16232 199.8
[M+Na-2H]- 413.12314 195.5
[M]+ 392.14792 185.7
[M]- 392.14902 185.7
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.