CID 146597173

2433900-33-3

Structural Information

Molecular Formula
C18H20F2N4O2S
SMILES
CC1=C(N=C(S1)N(C2=CC(=NC(=C2)F)F)C(=O)C)C(=O)NC3CCC3(C)C
InChI
InChI=1S/C18H20F2N4O2S/c1-9-15(16(26)21-12-5-6-18(12,3)4)23-17(27-9)24(10(2)25)11-7-13(19)22-14(20)8-11/h7-8,12H,5-6H2,1-4H3,(H,21,26)
InChIKey
UNULDOOLFHCKBF-UHFFFAOYSA-N
Compound name
2-[acetyl-(2,6-difluoropyridin-4-yl)amino]-N-(2,2-dimethylcyclobutyl)-5-methyl-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

394.1275 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.13478 192.9
[M+Na]+ 417.11672 198.0
[M-H]- 393.12022 198.7
[M+NH4]+ 412.16132 199.2
[M+K]+ 433.09066 197.7
[M+H-H2O]+ 377.12476 176.7
[M+HCOO]- 439.12570 205.6
[M+CH3COO]- 453.14135 229.7
[M+Na-2H]- 415.10217 187.8
[M]+ 394.12695 202.8
[M]- 394.12805 202.8
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