CID 16226984

2-chloro-n-(3,4-dimethoxyphenyl)propanamide

Structural Information

Molecular Formula
C11H14ClNO3
SMILES
CC(C(=O)NC1=CC(=C(C=C1)OC)OC)Cl
InChI
InChI=1S/C11H14ClNO3/c1-7(12)11(14)13-8-4-5-9(15-2)10(6-8)16-3/h4-7H,1-3H3,(H,13,14)
InChIKey
YCZXDCKFGWWNSL-UHFFFAOYSA-N
Compound name
2-chloro-N-(3,4-dimethoxyphenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

243.06622 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.073496 150.9
[M+Na]+ 266.055438 159.0
[M-H]- 242.058944 154.9
[M+NH4]+ 261.100043 169.4
[M+K]+ 282.029378 156.6
[M+H-H2O]+ 226.063480 145.7
[M+HCOO]- 288.064421 170.3
[M+CH3COO]- 302.080071 194.6
[M+Na-2H]- 264.040886 154.1
[M]+ 243.06567142 156.0
[M]- 243.06676858 156.0
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

patents stripe