CID 13999

7-chloro-1,3-dihydro-1-(2-morpholinoethyl)-5-phenyl-2h-1,4-benzodiazepin-2-one maleate

Structural Information

Molecular Formula
C21H22ClN3O2
SMILES
C1COCCN1CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4
InChI
InChI=1S/C21H22ClN3O2/c22-17-6-7-19-18(14-17)21(16-4-2-1-3-5-16)23-15-20(26)25(19)9-8-24-10-12-27-13-11-24/h1-7,14H,8-13,15H2
InChIKey
JAJMDCWDIQLCTN-UHFFFAOYSA-N
Compound name
7-chloro-1-(2-morpholin-4-ylethyl)-5-phenyl-3H-1,4-benzodiazepin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

383.14005 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14733 196.0
[M+Na]+ 406.12927 210.1
[M+NH4]+ 401.17387 202.8
[M+K]+ 422.10321 202.1
[M-H]- 382.13277 201.9
[M+Na-2H]- 404.11472 202.6
[M]+ 383.13950 200.1
[M]- 383.14060 200.1
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

patents stripe