CID 11820779

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

Structural Information

Molecular Formula
C18H19N5O3S
SMILES
CC(C)N\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C18H19N5O3S/c1-12(2)23-15(13-3-5-14(24)6-4-13)11-27-18(23)22-21-16(25)10-26-17-9-19-7-8-20-17/h3-9,11-12,24H,10H2,1-2H3,(H,21,25)/b22-18-
InChIKey
QLDYMTHKBUHRIX-PYCFMQQDSA-N
Compound name
N-[(Z)-[4-(4-hydroxyphenyl)-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

385.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12813 188.1
[M+Na]+ 408.11007 195.1
[M-H]- 384.11357 194.8
[M+NH4]+ 403.15467 197.1
[M+K]+ 424.08401 190.0
[M+H-H2O]+ 368.11811 177.8
[M+HCOO]- 430.11905 205.4
[M+CH3COO]- 444.13470 220.1
[M+Na-2H]- 406.09552 188.8
[M]+ 385.12030 191.8
[M]- 385.12140 191.8
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.