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

66
Patents

302.16306 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.170336 171.8
[M+Na]+ 325.152278 180.8
[M-H]- 301.155784 178.3
[M+NH4]+ 320.196883 180.7
[M+K]+ 341.126218 175.2
[M+H-H2O]+ 285.160320 163.2
[M+HCOO]- 347.161261 192.1
[M+CH3COO]- 361.176911 204.3
[M+Na-2H]- 323.137726 172.2
[M]+ 302.16251142 176.8
[M]- 302.16360858 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