CID 836289

N-(5-chloro-2,4-dimethoxyphenyl)propanamide

Structural Information

Molecular Formula

C₁₁H₁₄ClNO₃

SMILES

CCC(=O)NC1=CC(=C(C=C1OC)OC)Cl

InChI

InChI=1S/C11H14ClNO3/c1-4-11(14)13-8-5-7(12)9(15-2)6-10(8)16-3/h5-6H,4H2,1-3H3,(H,13,14)

InChIKey

SWCIDIOQBZZUPT-UHFFFAOYSA-N

Compound name

N-(5-chloro-2,4-dimethoxyphenyl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 243.06622 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	244.073496	150.5
[M+Na]+	266.055438	159.7
[M-H]-	242.058944	154.7
[M+NH4]+	261.100043	169.3
[M+K]+	282.029378	156.9
[M+H-H2O]+	226.063480	145.4
[M+HCOO]-	288.064421	170.8
[M+CH3COO]-	302.080071	194.9
[M+Na-2H]-	264.040886	154.2
[M]+	243.06567142	156.6
[M]-	243.06676858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe