CID 6448640

144401-01-4

Structural Information

Molecular Formula
C28H28N2O3
SMILES
CCOC(=O)C1(CC(N(C2=CC=CC=C2N1)C(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C28H28N2O3/c1-3-33-27(32)28(2)20-25(22-14-8-5-9-15-22)30(24-17-11-10-16-23(24)29-28)26(31)19-18-21-12-6-4-7-13-21/h4-19,25,29H,3,20H2,1-2H3/b19-18+
InChIKey
QBKZGEPHBARBRF-VHEBQXMUSA-N
Compound name
ethyl 2-methyl-4-phenyl-5-[(E)-3-phenylprop-2-enoyl]-3,4-dihydro-1H-1,5-benzodiazepine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.21 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.21728 209.2
[M+Na]+ 463.19922 221.1
[M+NH4]+ 458.24382 215.5
[M+K]+ 479.17316 212.3
[M-H]- 439.20272 213.1
[M+Na-2H]- 461.18467 217.0
[M]+ 440.20945 212.2
[M]- 440.21055 212.2
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.