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]+ 350.18630 186.0
[M+Na]+ 372.16824 190.5
[M-H]- 348.17174 192.7
[M+NH4]+ 367.21284 193.2
[M+K]+ 388.14218 189.5
[M+H-H2O]+ 332.17628 173.9
[M+HCOO]- 394.17722 198.5
[M+CH3COO]- 408.19287 193.7
[M+Na-2H]- 370.15369 189.2
[M]+ 349.17847 180.1
[M]- 349.17957 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.