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]+ 400.14378 192.8
[M+Na]+ 422.12572 199.8
[M-H]- 398.12922 200.7
[M+NH4]+ 417.17032 201.9
[M+K]+ 438.09966 195.3
[M+H-H2O]+ 382.13376 182.0
[M+HCOO]- 444.13470 211.2
[M+CH3COO]- 458.15035 225.2
[M+Na-2H]- 420.11117 193.3
[M]+ 399.13595 198.6
[M]- 399.13705 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.