CID 43073

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

Structural Information

Molecular Formula
C21H23N3O2
SMILES
C1COCCN1CCN2C(=O)CC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O2/c25-20-16-18-8-4-5-9-19(18)21(17-6-2-1-3-7-17)22-24(20)11-10-23-12-14-26-15-13-23/h1-9H,10-16H2
InChIKey
NMGZENYSNDURBY-UHFFFAOYSA-N
Compound name
3-(2-morpholin-4-ylethyl)-1-phenyl-5H-2,3-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.17902 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.186296 186.0
[M+Na]+ 372.168238 190.5
[M-H]- 348.171744 192.7
[M+NH4]+ 367.212843 193.2
[M+K]+ 388.142178 189.5
[M+H-H2O]+ 332.176280 173.9
[M+HCOO]- 394.177221 198.5
[M+CH3COO]- 408.192871 193.7
[M+Na-2H]- 370.153686 189.2
[M]+ 349.17847142 180.1
[M]- 349.17956858 180.1
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

No patent data available for this compound.