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]+ 255.12587 160.1
[M+Na]+ 277.10781 166.0
[M-H]- 253.11131 164.5
[M+NH4]+ 272.15241 178.2
[M+K]+ 293.08175 162.7
[M+H-H2O]+ 237.11585 153.7
[M+HCOO]- 299.11679 180.8
[M+CH3COO]- 313.13244 202.8
[M+Na-2H]- 275.09326 163.4
[M]+ 254.11804 163.7
[M]- 254.11914 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.