CID 11820776

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

Structural Information

Molecular Formula
C18H18ClN5O2S
SMILES
CC(C)N\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H18ClN5O2S/c1-12(2)24-15(13-3-5-14(19)6-4-13)11-27-18(24)23-22-16(25)10-26-17-9-20-7-8-21-17/h3-9,11-12H,10H2,1-2H3,(H,22,25)/b23-18-
InChIKey
BEXIGMFKSJPNNO-NKFKGCMQSA-N
Compound name
N-[(Z)-[4-(4-chlorophenyl)-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

403.08698 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.09426 191.9
[M+Na]+ 426.07620 200.3
[M-H]- 402.07970 199.9
[M+NH4]+ 421.12080 202.0
[M+K]+ 442.05014 194.0
[M+H-H2O]+ 386.08424 181.8
[M+HCOO]- 448.08518 205.9
[M+CH3COO]- 462.10083 223.6
[M+Na-2H]- 424.06165 192.2
[M]+ 403.08643 198.2
[M]- 403.08753 198.2
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.