CID 45051336

3-(2-chloro-3-methoxyphenyl)-n-cyclopentyl-2-propenamide

Structural Information

Molecular Formula
C15H18ClNO2
SMILES
COC1=CC=CC(=C1Cl)/C=C/C(=O)NC2CCCC2
InChI
InChI=1S/C15H18ClNO2/c1-19-13-8-4-5-11(15(13)16)9-10-14(18)17-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3,(H,17,18)/b10-9+
InChIKey
ZRZFWKCBPBNFNN-MDZDMXLPSA-N
Compound name
(E)-3-(2-chloro-3-methoxyphenyl)-N-cyclopentylprop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1026 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10988 166.2
[M+Na]+ 302.09182 172.4
[M-H]- 278.09532 172.3
[M+NH4]+ 297.13642 184.5
[M+K]+ 318.06576 167.1
[M+H-H2O]+ 262.09986 159.8
[M+HCOO]- 324.10080 184.4
[M+CH3COO]- 338.11645 198.4
[M+Na-2H]- 300.07727 166.4
[M]+ 279.10205 166.4
[M]- 279.10315 166.4
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.