CID 366837

Nsc635686

Structural Information

Molecular Formula
C23H23NO4
SMILES
COC(=O)C1=C(CCC1)C(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
InChI
InChI=1S/C23H23NO4/c1-28-23(27)19-14-8-13-18(19)21(25)20(15-16-9-4-2-5-10-16)24-22(26)17-11-6-3-7-12-17/h2-7,9-12,20H,8,13-15H2,1H3,(H,24,26)
InChIKey
KIYCPOIRVFBIAT-UHFFFAOYSA-N
Compound name
methyl 2-(2-benzamido-3-phenylpropanoyl)cyclopentene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.16272 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.17000 192.0
[M+Na]+ 400.15194 193.9
[M-H]- 376.15544 200.7
[M+NH4]+ 395.19654 203.8
[M+K]+ 416.12588 190.7
[M+H-H2O]+ 360.15998 182.7
[M+HCOO]- 422.16092 212.3
[M+CH3COO]- 436.17657 219.1
[M+Na-2H]- 398.13739 189.2
[M]+ 377.16217 191.4
[M]- 377.16327 191.4
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.