CID 50987501

2-chloro-n-(prop-2-en-1-yl)-n-(thiophen-2-ylmethyl)propanamide

Structural Information

Molecular Formula
C11H14ClNOS
SMILES
CC(C(=O)N(CC=C)CC1=CC=CS1)Cl
InChI
InChI=1S/C11H14ClNOS/c1-3-6-13(11(14)9(2)12)8-10-5-4-7-15-10/h3-5,7,9H,1,6,8H2,2H3
InChIKey
IMXRYFAWSYWFNI-UHFFFAOYSA-N
Compound name
2-chloro-N-prop-2-enyl-N-(thiophen-2-ylmethyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.04846 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.05574 156.8
[M+Na]+ 266.03768 163.6
[M-H]- 242.04118 161.8
[M+NH4]+ 261.08228 177.7
[M+K]+ 282.01162 160.1
[M+H-H2O]+ 226.04572 151.4
[M+HCOO]- 288.04666 171.5
[M+CH3COO]- 302.06231 194.5
[M+Na-2H]- 264.02313 155.1
[M]+ 243.04791 161.6
[M]- 243.04901 161.6
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.