CID 11820780

Acetic acid, (pyrazinyloxy)-, [(2z)-4-(2,4-dichlorophenyl)-3-(1-methylethyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

Molecular Formula
C18H17Cl2N5O2S
SMILES
CC(C)N\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H17Cl2N5O2S/c1-11(2)25-15(13-4-3-12(19)7-14(13)20)10-28-18(25)24-23-16(26)9-27-17-8-21-5-6-22-17/h3-8,10-11H,9H2,1-2H3,(H,23,26)/b24-18-
InChIKey
VKCSEQQYSHILDI-MOHJPFBDSA-N
Compound name
N-[(Z)-[4-(2,4-dichlorophenyl)-3-propan-2-yl-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

437.048 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.05528 197.6
[M+Na]+ 460.03722 206.8
[M-H]- 436.04072 205.1
[M+NH4]+ 455.08182 207.0
[M+K]+ 476.01116 199.9
[M+H-H2O]+ 420.04526 188.1
[M+HCOO]- 482.04620 206.3
[M+CH3COO]- 496.06185 206.7
[M+Na-2H]- 458.02267 196.4
[M]+ 437.04745 205.3
[M]- 437.04855 205.3
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.