CID 5272433

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

Structural Information

Molecular Formula
C25H23N5O3S
SMILES
COC1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)C4=CC=NC=C4
InChI
InChI=1S/C25H23N5O3S/c1-33-21-8-2-17(3-9-21)14-30(24(32)19-10-12-27-13-11-19)15-23(31)28-20-6-4-18(5-7-20)22-16-34-25(26)29-22/h2-13,16H,14-15H2,1H3,(H2,26,29)(H,28,31)
InChIKey
GLGHUZFJZOGONQ-UHFFFAOYSA-N
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.15216 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.15944 210.6
[M+Na]+ 496.14138 214.7
[M-H]- 472.14488 221.7
[M+NH4]+ 491.18598 216.5
[M+K]+ 512.11532 209.5
[M+H-H2O]+ 456.14942 199.0
[M+HCOO]- 518.15036 228.9
[M+CH3COO]- 532.16601 218.1
[M+Na-2H]- 494.12683 210.2
[M]+ 473.15161 213.2
[M]- 473.15271 213.2
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.