CID 11120251

3-[(2,2-dimethylpropanoyl)amino]-n-1,3-thiazol-2-ylpyridine-2-carboxamide

Structural Information

Molecular Formula
C14H16N4O2S
SMILES
CC(C)(C)C(=O)NC1=C(N=CC=C1)C(=O)NC2=NC=CS2
InChI
InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChIKey
CAVCWRXFMNCBCM-UHFFFAOYSA-N
Compound name
3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

304.0994 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.10668 170.9
[M+Na]+ 327.08862 177.3
[M-H]- 303.09212 175.6
[M+NH4]+ 322.13322 184.8
[M+K]+ 343.06256 173.8
[M+H-H2O]+ 287.09666 162.7
[M+HCOO]- 349.09760 187.7
[M+CH3COO]- 363.11325 204.4
[M+Na-2H]- 325.07407 172.9
[M]+ 304.09885 172.5
[M]- 304.09995 172.5
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