CID 154575

Piclamilast

Structural Information

Molecular Formula
C18H18Cl2N2O3
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=C(C=NC=C2Cl)Cl)OC3CCCC3
InChI
InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
InChIKey
RRRUXBQSQLKHEL-UHFFFAOYSA-N
Compound name
3-cyclopentyloxy-N-(3,5-dichloropyridin-4-yl)-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

113
References

5176
Patents

380.06946 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.07674 185.2
[M+Na]+ 403.05868 199.0
[M+NH4]+ 398.10328 192.8
[M+K]+ 419.03262 192.6
[M-H]- 379.06218 190.2
[M+Na-2H]- 401.04413 192.8
[M]+ 380.06891 189.1
[M]- 380.07001 189.1
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