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]+ 415.201616 203.9
[M+Na]+ 437.183558 208.2
[M-H]- 413.187064 210.7
[M+NH4]+ 432.228163 212.3
[M+K]+ 453.157498 206.5
[M+H-H2O]+ 397.191600 193.3
[M+HCOO]- 459.192541 216.7
[M+CH3COO]- 473.208191 210.7
[M+Na-2H]- 435.169006 204.8
[M]+ 414.19379142 199.3
[M]- 414.19488858 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.