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-dichloro-4-pyridinyl)-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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.