CID 11427975

N-[2-methyl-5-(methylcarbamoyl)phenyl]-2-{[(1r)-1-methylpropyl]amino}-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C17H22N4O2S
SMILES
CC[C@@H](C)NC1=NC=C(S1)C(=O)NC2=C(C=CC(=C2)C(=O)NC)C
InChI
InChI=1S/C17H22N4O2S/c1-5-11(3)20-17-19-9-14(24-17)16(23)21-13-8-12(15(22)18-4)7-6-10(13)2/h6-9,11H,5H2,1-4H3,(H,18,22)(H,19,20)(H,21,23)/t11-/m1/s1
InChIKey
OYOUIHFZUAKCEF-LLVKDONJSA-N
Compound name
2-[[(2R)-butan-2-yl]amino]-N-[2-methyl-5-(methylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

20
Patents

346.14636 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.15364 183.0
[M+Na]+ 369.13558 188.0
[M-H]- 345.13908 188.7
[M+NH4]+ 364.18018 196.4
[M+K]+ 385.10952 184.1
[M+H-H2O]+ 329.14362 174.5
[M+HCOO]- 391.14456 201.3
[M+CH3COO]- 405.16021 219.6
[M+Na-2H]- 367.12103 180.9
[M]+ 346.14581 185.2
[M]- 346.14691 185.2
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