CID 11546664

Revamilast

Structural Information

Molecular Formula
C18H9Cl2F2N3O4
SMILES
C1=CC(=C2C(=C1C(=O)N=C3C(=CN(C=C3Cl)O)Cl)C4=C(O2)C=CN=C4)OC(F)F
InChI
InChI=1S/C18H9Cl2F2N3O4/c19-10-6-25(27)7-11(20)15(10)24-17(26)8-1-2-13(29-18(21)22)16-14(8)9-5-23-4-3-12(9)28-16/h1-7,18,27H
InChIKey
CFRXVFRHMZLQBS-UHFFFAOYSA-N
Compound name
N-(3,5-dichloro-1-hydroxypyridin-4-ylidene)-6-(difluoromethoxy)-[1]benzofuro[3,2-c]pyridine-9-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

789
Patents

438.9938 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.00108 191.9
[M+Na]+ 461.98302 205.5
[M-H]- 437.98652 197.0
[M+NH4]+ 457.02762 202.7
[M+K]+ 477.95696 199.6
[M+H-H2O]+ 421.99106 182.2
[M+HCOO]- 483.99200 201.2
[M+CH3COO]- 498.00765 202.3
[M+Na-2H]- 459.96847 194.3
[M]+ 438.99325 200.4
[M]- 438.99435 200.4
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