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]+ 364.20195 190.2
[M+Na]+ 386.18389 194.3
[M-H]- 362.18739 196.7
[M+NH4]+ 381.22849 196.8
[M+K]+ 402.15783 193.1
[M+H-H2O]+ 346.19193 177.9
[M+HCOO]- 408.19287 202.4
[M+CH3COO]- 422.20852 197.4
[M+Na-2H]- 384.16934 192.8
[M]+ 363.19412 184.6
[M]- 363.19522 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.