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]+ 378.169996 192.0
[M+Na]+ 400.151938 193.9
[M-H]- 376.155444 200.7
[M+NH4]+ 395.196543 203.8
[M+K]+ 416.125878 190.7
[M+H-H2O]+ 360.159980 182.7
[M+HCOO]- 422.160921 212.3
[M+CH3COO]- 436.176571 219.1
[M+Na-2H]- 398.137386 189.2
[M]+ 377.16217142 191.4
[M]- 377.16326858 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.