CID 56843521

92942-82-0

Structural Information

Molecular Formula
C22H26N2O3
SMILES
CCC(=O)N1C(CC(NC2=CC=CC=C21)(C)C(=O)OCC)C3=CC=CC=C3
InChI
InChI=1S/C22H26N2O3/c1-4-20(25)24-18-14-10-9-13-17(18)23-22(3,21(26)27-5-2)15-19(24)16-11-7-6-8-12-16/h6-14,19,23H,4-5,15H2,1-3H3
InChIKey
IZLUGSLWAUAVLH-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-4-phenyl-5-propanoyl-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.19434 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.20162 188.2
[M+Na]+ 389.18356 192.9
[M-H]- 365.18706 192.4
[M+NH4]+ 384.22816 199.3
[M+K]+ 405.15750 192.5
[M+H-H2O]+ 349.19160 179.2
[M+HCOO]- 411.19254 201.4
[M+CH3COO]- 425.20819 214.9
[M+Na-2H]- 387.16901 189.4
[M]+ 366.19379 185.1
[M]- 366.19489 185.1
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.