CID 60260

3'-chloro-2-((3-methoxypropyl)amino)acetanilide hydrochloride

Structural Information

Molecular Formula
C12H17ClN2O2
SMILES
COCCCNCC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C12H17ClN2O2/c1-17-7-3-6-14-9-12(16)15-11-5-2-4-10(13)8-11/h2,4-5,8,14H,3,6-7,9H2,1H3,(H,15,16)
InChIKey
OYBADGHPGVTZIK-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-(3-methoxypropylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.09787 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.105146 157.7
[M+Na]+ 279.087088 163.8
[M-H]- 255.090594 160.8
[M+NH4]+ 274.131693 174.9
[M+K]+ 295.061028 159.9
[M+H-H2O]+ 239.095130 151.5
[M+HCOO]- 301.096071 178.4
[M+CH3COO]- 315.111721 198.5
[M+Na-2H]- 277.072536 162.4
[M]+ 256.09732142 161.1
[M]- 256.09841858 161.1
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.