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 155.9
[M+Na]+ 266.03768 165.3
[M+NH4]+ 261.08228 164.3
[M+K]+ 282.01162 158.9
[M-H]- 242.04118 157.5
[M+Na-2H]- 264.02313 159.8
[M]+ 243.04791 158.2
[M]- 243.04901 158.2
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.