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 192.6
[M+Na]+ 406.12927 199.3
[M-H]- 382.13277 199.1
[M+NH4]+ 401.17387 199.7
[M+K]+ 422.10321 197.4
[M+H-H2O]+ 366.13731 180.1
[M+HCOO]- 428.13825 200.8
[M+CH3COO]- 442.15390 200.2
[M+Na-2H]- 404.11472 194.6
[M]+ 383.13950 189.1
[M]- 383.14060 189.1
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