CID 11820765

N-[(z)-[3-(4-ethoxyphenyl)-4-phenyl-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxy-acetamide

Structural Information

Molecular Formula
C23H21N5O3S
SMILES
CCOC1=CC=C(C=C1)N\2C(=CS/C2=N\NC(=O)COC3=NC=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C23H21N5O3S/c1-2-30-19-10-8-18(9-11-19)28-20(17-6-4-3-5-7-17)16-32-23(28)27-26-21(29)15-31-22-14-24-12-13-25-22/h3-14,16H,2,15H2,1H3,(H,26,29)/b27-23-
InChIKey
RCDSAPCIJJKHRE-VYIQYICTSA-N
Compound name
N-[(Z)-[3-(4-ethoxyphenyl)-4-phenyl-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

447.1365 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.14378 203.7
[M+Na]+ 470.12572 210.5
[M-H]- 446.12922 214.2
[M+NH4]+ 465.17032 210.2
[M+K]+ 486.09966 204.1
[M+H-H2O]+ 430.13376 191.5
[M+HCOO]- 492.13470 223.0
[M+CH3COO]- 506.15035 212.3
[M+Na-2H]- 468.11117 205.8
[M]+ 447.13595 208.5
[M]- 447.13705 208.5
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

No patent data available for this compound.