CID 5272320

N-[2-[4-(2-aminothiazol-4-yl)anilino]-2-oxo-ethyl]-n-benzyl-pyrazine-1-carboxamide

Structural Information

Molecular Formula
C23H21N6O2S
SMILES
C1=CC=C(C=C1)CN(CC(=O)NC2=CC=C(C=C2)C3=CSC(=N3)N)C(=O)[N+]4=CC=NC=C4
InChI
InChI=1S/C23H20N6O2S/c24-22-27-20(16-32-22)18-6-8-19(9-7-18)26-21(30)15-29(14-17-4-2-1-3-5-17)23(31)28-12-10-25-11-13-28/h1-13,16H,14-15H2,(H2-,24,26,27,30)/p+1
InChIKey
LWYUEGRABBURTD-UHFFFAOYSA-O
Compound name
N-[2-[4-(2-amino-1,3-thiazol-4-yl)anilino]-2-oxoethyl]-N-benzylpyrazin-1-ium-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.14468 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.15196 202.0
[M+Na]+ 468.13390 206.0
[M-H]- 444.13740 212.1
[M+NH4]+ 463.17850 207.3
[M+K]+ 484.10784 194.5
[M+H-H2O]+ 428.14194 192.7
[M+HCOO]- 490.14288 219.2
[M+CH3COO]- 504.15853 227.1
[M+Na-2H]- 466.11935 206.0
[M]+ 445.14413 201.0
[M]- 445.14523 201.0
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.