CID 10248203

Schembl643303

Structural Information

Molecular Formula
C20H20N4O3
SMILES
C1COCCN1C(=O)NC2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C20H20N4O3/c25-19-18(23-20(26)24-10-12-27-13-11-24)22-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)21-19/h1-9,18H,10-13H2,(H,21,25)(H,23,26)
InChIKey
NHTVXIJGLUEUIN-UHFFFAOYSA-N
Compound name
N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

22
Patents

364.15353 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.16081 188.1
[M+Na]+ 387.14275 191.8
[M-H]- 363.14625 194.1
[M+NH4]+ 382.18735 193.7
[M+K]+ 403.11669 191.6
[M+H-H2O]+ 347.15079 176.2
[M+HCOO]- 409.15173 200.0
[M+CH3COO]- 423.16738 195.0
[M+Na-2H]- 385.12820 191.3
[M]+ 364.15298 179.9
[M]- 364.15408 179.9
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