CID 5272289

4-pyridinecarboxamide, n-[2-[[4-(2-amino-4-thiazolyl)phenyl]amino]-2-oxoethyl]-n-methyl-

Structural Information

Molecular Formula
C18H17N5O2S
SMILES
CN(CC(=O)NC1=CC=C(C=C1)C2=CSC(=N2)N)C(=O)C3=CC=NC=C3
InChI
InChI=1S/C18H17N5O2S/c1-23(17(25)13-6-8-20-9-7-13)10-16(24)21-14-4-2-12(3-5-14)15-11-26-18(19)22-15/h2-9,11H,10H2,1H3,(H2,19,22)(H,21,24)
InChIKey
CXZFIHPOFXQTPP-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-methylpyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1103 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.11758 184.3
[M+Na]+ 390.09952 189.9
[M-H]- 366.10302 192.9
[M+NH4]+ 385.14412 195.2
[M+K]+ 406.07346 185.6
[M+H-H2O]+ 350.10756 174.2
[M+HCOO]- 412.10850 203.6
[M+CH3COO]- 426.12415 221.7
[M+Na-2H]- 388.08497 184.9
[M]+ 367.10975 185.5
[M]- 367.11085 185.5
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

No patent data available for this compound.