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]+ 271.12078 162.3
[M+Na]+ 293.10272 168.9
[M-H]- 269.10622 165.7
[M+NH4]+ 288.14732 179.4
[M+K]+ 309.07666 164.9
[M+H-H2O]+ 253.11076 156.2
[M+HCOO]- 315.11170 182.7
[M+CH3COO]- 329.12735 202.7
[M+Na-2H]- 291.08817 165.8
[M]+ 270.11295 166.5
[M]- 270.11405 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.