CID 57188144

Schembl7335658

Structural Information

Molecular Formula
C18H18Cl2N2O4
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCC(C3)O
InChI
InChI=1S/C18H18Cl2N2O4/c1-25-15-5-2-10(6-16(15)26-12-4-3-11(23)7-12)18(24)22-17-13(19)8-21-9-14(17)20/h2,5-6,8-9,11-12,23H,3-4,7H2,1H3,(H,21,22,24)
InChIKey
MKCDCGDRVFIIBH-UHFFFAOYSA-N
Compound name
N-(3,5-dichloropyridin-4-yl)-3-(3-hydroxycyclopentyl)oxy-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

396.06436 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.07164 188.3
[M+Na]+ 419.05358 196.2
[M-H]- 395.05708 195.2
[M+NH4]+ 414.09818 200.4
[M+K]+ 435.02752 190.2
[M+H-H2O]+ 379.06162 180.7
[M+HCOO]- 441.06256 199.1
[M+CH3COO]- 455.07821 217.1
[M+Na-2H]- 417.03903 186.6
[M]+ 396.06381 192.1
[M]- 396.06491 192.1
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