CID 56843434

92911-27-8

Structural Information

Molecular Formula
C21H24N2O3
SMILES
CCOC(=O)C1(CC(N(C2=CC=CC=C2N1)C(=O)C)C3=CC=CC=C3)C
InChI
InChI=1S/C21H24N2O3/c1-4-26-20(25)21(3)14-19(16-10-6-5-7-11-16)23(15(2)24)18-13-9-8-12-17(18)22-21/h5-13,19,22H,4,14H2,1-3H3
InChIKey
YAIHLIZPJPSEDX-UHFFFAOYSA-N
Compound name
ethyl 5-acetyl-2-methyl-4-phenyl-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.17868 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.18596 182.3
[M+Na]+ 375.16790 192.8
[M+NH4]+ 370.21250 188.9
[M+K]+ 391.14184 186.3
[M-H]- 351.17140 184.0
[M+Na-2H]- 373.15335 188.5
[M]+ 352.17813 184.3
[M]- 352.17923 184.3
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.