CID 412465

P-propionotoluidide, 3'-chloro-3-propylamino-, hydrochloride

Structural Information

Molecular Formula
C13H19ClN2O
SMILES
CCCNCCC(=O)NC1=CC(=C(C=C1)C)Cl
InChI
InChI=1S/C13H19ClN2O/c1-3-7-15-8-6-13(17)16-11-5-4-10(2)12(14)9-11/h4-5,9,15H,3,6-8H2,1-2H3,(H,16,17)
InChIKey
PRVUMXOAJVLLLA-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-3-(propylamino)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11859 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12587 159.8
[M+Na]+ 277.10781 166.5
[M-H]- 253.11131 163.1
[M+NH4]+ 272.15241 177.5
[M+K]+ 293.08175 161.8
[M+H-H2O]+ 237.11585 153.9
[M+HCOO]- 299.11679 179.9
[M+CH3COO]- 313.13244 200.6
[M+Na-2H]- 275.09326 163.1
[M]+ 254.11804 162.4
[M]- 254.11914 162.4
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.