CID 11820784

Acetic acid, (pyrazinyloxy)-, [(2z)-4-(4-chlorophenyl)-3-(2-methylpropyl)-2(3h)-thiazolylidene]hydrazide

Structural Information

Molecular Formula
C19H20ClN5O2S
SMILES
CC(C)CN\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H20ClN5O2S/c1-13(2)10-25-16(14-3-5-15(20)6-4-14)12-28-19(25)24-23-17(26)11-27-18-9-21-7-8-22-18/h3-9,12-13H,10-11H2,1-2H3,(H,23,26)/b24-19-
InChIKey
ZBXZMTYMTPWBHH-CLCOLTQESA-N
Compound name
N-[(Z)-[4-(4-chlorophenyl)-3-(2-methylpropyl)-1,3-thiazol-2-ylidene]amino]-2-pyrazin-2-yloxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

417.10263 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.10991 196.1
[M+Na]+ 440.09185 204.0
[M-H]- 416.09535 203.9
[M+NH4]+ 435.13645 205.6
[M+K]+ 456.06579 197.5
[M+H-H2O]+ 400.09989 185.8
[M+HCOO]- 462.10083 209.7
[M+CH3COO]- 476.11648 226.5
[M+Na-2H]- 438.07730 196.0
[M]+ 417.10208 202.7
[M]- 417.10318 202.7
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.