CID 43077

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

Structural Information

Molecular Formula
C21H23N3O
SMILES
C1CCN(C1)CCN2C(=O)CC3=CC=CC=C3C(=N2)C4=CC=CC=C4
InChI
InChI=1S/C21H23N3O/c25-20-16-18-10-4-5-11-19(18)21(17-8-2-1-3-9-17)22-24(20)15-14-23-12-6-7-13-23/h1-5,8-11H,6-7,12-16H2
InChIKey
CGVMFCPANFYPHQ-UHFFFAOYSA-N
Compound name
1-phenyl-3-(2-pyrrolidin-1-ylethyl)-5H-2,3-benzodiazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1841 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.19138 182.8
[M+Na]+ 356.17332 188.1
[M-H]- 332.17682 189.6
[M+NH4]+ 351.21792 193.8
[M+K]+ 372.14726 185.0
[M+H-H2O]+ 316.18136 171.5
[M+HCOO]- 378.18230 198.2
[M+CH3COO]- 392.19795 191.3
[M+Na-2H]- 354.15877 183.5
[M]+ 333.18355 177.2
[M]- 333.18465 177.2
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.