CID 11820778

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

Structural Information

Molecular Formula
C19H21N5O3S
SMILES
CC(C)N\1C(=CS/C1=N\NC(=O)COC2=NC=CN=C2)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H21N5O3S/c1-13(2)24-16(14-4-6-15(26-3)7-5-14)12-28-19(24)23-22-17(25)11-27-18-10-20-8-9-21-18/h4-10,12-13H,11H2,1-3H3,(H,22,25)/b23-19-
InChIKey
VVAUDGXANUXTFF-NMWGTECJSA-N
Compound name
N-[(Z)-[4-(4-methoxyphenyl)-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

399.1365 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.143776 192.8
[M+Na]+ 422.125718 199.8
[M-H]- 398.129224 200.7
[M+NH4]+ 417.170323 201.9
[M+K]+ 438.099658 195.3
[M+H-H2O]+ 382.133760 182.0
[M+HCOO]- 444.134701 211.2
[M+CH3COO]- 458.150351 225.2
[M+Na-2H]- 420.111166 193.3
[M]+ 399.13595142 198.6
[M]- 399.13704858 198.6
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.