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 203.9
[M+Na]+ 437.18356 208.2
[M-H]- 413.18706 210.7
[M+NH4]+ 432.22816 212.3
[M+K]+ 453.15750 206.5
[M+H-H2O]+ 397.19160 193.3
[M+HCOO]- 459.19254 216.7
[M+CH3COO]- 473.20819 210.7
[M+Na-2H]- 435.16901 204.8
[M]+ 414.19379 199.3
[M]- 414.19489 199.3
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.