CID 43075

2,3-(4h)-benzodiazepin-4-one, 3,5-dihydro-3-(3-morpholinopropyl)-1-phenyl-, maleate

Structural Information

Molecular Formula
C22H25N3O2
SMILES
C1COCCN1CCCN2C(=O)CC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C22H25N3O2/c26-21-17-19-9-4-5-10-20(19)22(18-7-2-1-3-8-18)23-25(21)12-6-11-24-13-15-27-16-14-24/h1-5,7-10H,6,11-17H2
InChIKey
MRGKUXGJNWKXEG-UHFFFAOYSA-N
Compound name
3-(3-morpholin-4-ylpropyl)-1-phenyl-5H-2,3-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.19467 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.201946 190.2
[M+Na]+ 386.183888 194.3
[M-H]- 362.187394 196.7
[M+NH4]+ 381.228493 196.8
[M+K]+ 402.157828 193.1
[M+H-H2O]+ 346.191930 177.9
[M+HCOO]- 408.192871 202.4
[M+CH3COO]- 422.208521 197.4
[M+Na-2H]- 384.169336 192.8
[M]+ 363.19412142 184.6
[M]- 363.19521858 184.6
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.