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
4
Annotation Hits

113
References

5333
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 186.6
[M+Na]+ 403.05868 194.2
[M-H]- 379.06218 194.3
[M+NH4]+ 398.10328 199.8
[M+K]+ 419.03262 188.1
[M+H-H2O]+ 363.06672 178.3
[M+HCOO]- 425.06766 198.6
[M+CH3COO]- 439.08331 215.9
[M+Na-2H]- 401.04413 185.6
[M]+ 380.06891 190.3
[M]- 380.07001 190.3
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