CID 66778561

475271-62-6

Structural Information

Molecular Formula
C16H14Cl2N2O3
SMILES
C1CC1COC2=C(C=CC(=C2)C(=O)NC3=C(C=NC=C3Cl)Cl)O
InChI
InChI=1S/C16H14Cl2N2O3/c17-11-6-19-7-12(18)15(11)20-16(22)10-3-4-13(21)14(5-10)23-8-9-1-2-9/h3-7,9,21H,1-2,8H2,(H,19,20,22)
InChIKey
IJTMJUHUWQHBEA-UHFFFAOYSA-N
Compound name
3-(cyclopropylmethoxy)-N-(3,5-dichloropyridin-4-yl)-4-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

352.03815 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.04543 169.9
[M+Na]+ 375.02737 180.0
[M-H]- 351.03087 176.9
[M+NH4]+ 370.07197 177.7
[M+K]+ 391.00131 172.9
[M+H-H2O]+ 335.03541 162.9
[M+HCOO]- 397.03635 183.0
[M+CH3COO]- 411.05200 211.9
[M+Na-2H]- 373.01282 172.5
[M]+ 352.03760 176.5
[M]- 352.03870 176.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe