CID 11537071

Chembl208837

Structural Information

Molecular Formula
C19H19N3O2
SMILES
C1COCCN1C2C(=O)NC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C19H19N3O2/c23-19-18(22-10-12-24-13-11-22)21-17(14-6-2-1-3-7-14)15-8-4-5-9-16(15)20-19/h1-9,18H,10-13H2,(H,20,23)
InChIKey
PVGNMUJCOCLQRC-UHFFFAOYSA-N
Compound name
3-morpholin-4-yl-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.14774 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 177.9
[M+Na]+ 344.13696 182.9
[M-H]- 320.14046 183.8
[M+NH4]+ 339.18156 185.6
[M+K]+ 360.11090 181.7
[M+H-H2O]+ 304.14500 166.6
[M+HCOO]- 366.14594 189.7
[M+CH3COO]- 380.16159 185.8
[M+Na-2H]- 342.12241 181.8
[M]+ 321.14719 169.8
[M]- 321.14829 169.8
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

No patent data available for this compound.