CID 11594630

Catramilast

Structural Information

Molecular Formula
C17H22N2O3
SMILES
C[C@H](CN1C=CNC1=O)C2=CC(=C(C=C2)OC)OCC3CC3
InChI
InChI=1S/C17H22N2O3/c1-12(10-19-8-7-18-17(19)20)14-5-6-15(21-2)16(9-14)22-11-13-3-4-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)/t12-/m1/s1
InChIKey
ACBYRQONKZKIIY-GFCCVEGCSA-N
Compound name
3-[(2S)-2-[3-(cyclopropylmethoxy)-4-methoxyphenyl]propyl]-1H-imidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

64
Patents

302.16306 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 171.8
[M+Na]+ 325.15228 180.8
[M-H]- 301.15578 178.3
[M+NH4]+ 320.19688 180.7
[M+K]+ 341.12622 175.2
[M+H-H2O]+ 285.16032 163.2
[M+HCOO]- 347.16126 192.1
[M+CH3COO]- 361.17691 204.3
[M+Na-2H]- 323.13773 172.2
[M]+ 302.16251 176.8
[M]- 302.16361 176.8
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

patents stripe