CID 188691

112797-19-0

Structural Information

Molecular Formula
C12H17ClN2O3
SMILES
CC(COC)N(C1=C(N=CC=C1)OC)C(=O)CCl
InChI
InChI=1S/C12H17ClN2O3/c1-9(8-17-2)15(11(16)7-13)10-5-4-6-14-12(10)18-3/h4-6,9H,7-8H2,1-3H3
InChIKey
KMFGFEBWDRFHBQ-UHFFFAOYSA-N
Compound name
2-chloro-N-(1-methoxypropan-2-yl)-N-(2-methoxypyridin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.09277 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.10005 159.3
[M+Na]+ 295.08199 166.1
[M-H]- 271.08549 162.7
[M+NH4]+ 290.12659 175.5
[M+K]+ 311.05593 164.7
[M+H-H2O]+ 255.09003 152.3
[M+HCOO]- 317.09097 177.5
[M+CH3COO]- 331.10662 202.4
[M+Na-2H]- 293.06744 162.1
[M]+ 272.09222 166.1
[M]- 272.09332 166.1
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.