CID 3066100

Propionanilide, 3'-chloro-3-diethylamino-, hydrochloride

Structural Information

Molecular Formula
C13H19ClN2O
SMILES
CCN(CC)CCC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C13H19ClN2O/c1-3-16(4-2)9-8-13(17)15-12-7-5-6-11(14)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H,15,17)
InChIKey
JAZKFPXNOPAEAH-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-3-(diethylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11859 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.125866 160.1
[M+Na]+ 277.107808 166.0
[M-H]- 253.111314 164.5
[M+NH4]+ 272.152413 178.2
[M+K]+ 293.081748 162.7
[M+H-H2O]+ 237.115850 153.7
[M+HCOO]- 299.116791 180.8
[M+CH3COO]- 313.132441 202.8
[M+Na-2H]- 275.093256 163.4
[M]+ 254.11804142 163.7
[M]- 254.11913858 163.7
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.