CID 11552706

Losmapimod

Structural Information

Molecular Formula
C22H26FN3O2
SMILES
CC1=C(C=C(C=C1F)C(=O)NC2CC2)C3=NC=C(C=C3)C(=O)NCC(C)(C)C
InChI
InChI=1S/C22H26FN3O2/c1-13-17(9-15(10-18(13)23)21(28)26-16-6-7-16)19-8-5-14(11-24-19)20(27)25-12-22(2,3)4/h5,8-11,16H,6-7,12H2,1-4H3,(H,25,27)(H,26,28)
InChIKey
KKYABQBFGDZVNQ-UHFFFAOYSA-N
Compound name
6-[5-(cyclopropylcarbamoyl)-3-fluoro-2-methylphenyl]-N-(2,2-dimethylpropyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

54
References

1692
Patents

383.2009 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20818 188.6
[M+Na]+ 406.19012 195.8
[M-H]- 382.19362 196.2
[M+NH4]+ 401.23472 194.2
[M+K]+ 422.16406 189.9
[M+H-H2O]+ 366.19816 179.1
[M+HCOO]- 428.19910 208.0
[M+CH3COO]- 442.21475 228.4
[M+Na-2H]- 404.17557 189.4
[M]+ 383.20035 190.8
[M]- 383.20145 190.8
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