CID 56843522

92942-83-1

Structural Information

Molecular Formula
C26H26N2O3
SMILES
CCOC(=O)C1(CC(N(C2=CC=CC=C2N1)C(=O)C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C26H26N2O3/c1-3-31-25(30)26(2)18-23(19-12-6-4-7-13-19)28(22-17-11-10-16-21(22)27-26)24(29)20-14-8-5-9-15-20/h4-17,23,27H,3,18H2,1-2H3
InChIKey
TXOFMYBILFJXFP-UHFFFAOYSA-N
Compound name
ethyl 5-benzoyl-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

414.19434 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.20162 201.5
[M+Na]+ 437.18356 213.7
[M+NH4]+ 432.22816 208.4
[M+K]+ 453.15750 205.4
[M-H]- 413.18706 205.8
[M+Na-2H]- 435.16901 209.9
[M]+ 414.19379 204.7
[M]- 414.19489 204.7
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.