CID 11820785

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

Structural Information

Molecular Formula
C19H20FN5O2S
SMILES
CC(C)CN\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C19H20FN5O2S/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
JHACHPOCBXKDFI-CLCOLTQESA-N
Compound name
N-[(Z)-[4-(4-fluorophenyl)-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

401.13217 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.13945 192.1
[M+Na]+ 424.12139 199.5
[M-H]- 400.12489 198.6
[M+NH4]+ 419.16599 201.3
[M+K]+ 440.09533 193.8
[M+H-H2O]+ 384.12943 180.5
[M+HCOO]- 446.13037 209.3
[M+CH3COO]- 460.14602 225.6
[M+Na-2H]- 422.10684 191.9
[M]+ 401.13162 195.7
[M]- 401.13272 195.7
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.