CID 11820787

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

Structural Information

Molecular Formula
C19H21N5O3S
SMILES
CC(C)CN\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)O
InChI
InChI=1S/C19H21N5O3S/c1-13(2)10-24-16(14-3-5-15(25)6-4-14)12-28-19(24)23-22-17(26)11-27-18-9-20-7-8-21-18/h3-9,12-13,25H,10-11H2,1-2H3,(H,22,26)/b23-19-
InChIKey
DIFZRTHZKKMXMN-NMWGTECJSA-N
Compound name
N-[(Z)-[4-(4-hydroxyphenyl)-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

399.1365 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.143776 192.2
[M+Na]+ 422.125718 198.7
[M-H]- 398.129224 198.7
[M+NH4]+ 417.170323 200.6
[M+K]+ 438.099658 193.4
[M+H-H2O]+ 382.133760 181.7
[M+HCOO]- 444.134701 209.2
[M+CH3COO]- 458.150351 223.0
[M+Na-2H]- 420.111166 192.5
[M]+ 399.13595142 196.2
[M]- 399.13704858 196.2
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.