CID 60347

109561-94-6

Structural Information

Molecular Formula
C13H19ClN2O2
SMILES
CC1=C(C=C(C=C1)Cl)NC(=O)CNCCCOC
InChI
InChI=1S/C13H19ClN2O2/c1-10-4-5-11(14)8-12(10)16-13(17)9-15-6-3-7-18-2/h4-5,8,15H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKey
ROGYLWHWBSITIF-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methylphenyl)-2-(3-methoxypropylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.1135 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.120776 162.3
[M+Na]+ 293.102718 168.9
[M-H]- 269.106224 165.7
[M+NH4]+ 288.147323 179.4
[M+K]+ 309.076658 164.9
[M+H-H2O]+ 253.110760 156.2
[M+HCOO]- 315.111701 182.7
[M+CH3COO]- 329.127351 202.7
[M+Na-2H]- 291.088166 165.8
[M]+ 270.11295142 166.5
[M]- 270.11404858 166.5
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.