CID 5272448

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

Structural Information

Molecular Formula
C23H22N6O2S2
SMILES
CC1=NC(=CS1)CCN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C23H22N6O2S2/c1-15-26-19(13-32-15)8-11-29(22(31)17-6-9-25-10-7-17)12-21(30)27-18-4-2-16(3-5-18)20-14-33-23(24)28-20/h2-7,9-10,13-14H,8,11-12H2,1H3,(H2,24,28)(H,27,30)
InChIKey
YAHGZKHFCLUUQH-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

478.12457 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 479.13185 208.4
[M+Na]+ 501.11379 215.6
[M-H]- 477.11729 219.5
[M+NH4]+ 496.15839 216.1
[M+K]+ 517.08773 209.0
[M+H-H2O]+ 461.12183 199.2
[M+HCOO]- 523.12277 223.4
[M+CH3COO]- 537.13842 216.7
[M+Na-2H]- 499.09924 206.6
[M]+ 478.12402 213.4
[M]- 478.12512 213.4
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.