CID 369056

Nsc640585

Structural Information

Molecular Formula
C16H17N3O4S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C16H17N3O4S/c1-9-15(24-16(17-9)19-18-10(2)20)13(22)7-5-11-4-6-12(21)14(8-11)23-3/h4-8,21H,1-3H3,(H,17,19)(H,18,20)
InChIKey
MKNQSOYFHIMOAT-UHFFFAOYSA-N
Compound name
N'-[5-[3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-4-methyl-1,3-thiazol-2-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

347.09396 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.10124 180.1
[M+Na]+ 370.08318 186.9
[M-H]- 346.08668 184.9
[M+NH4]+ 365.12778 193.1
[M+K]+ 386.05712 182.4
[M+H-H2O]+ 330.09122 172.3
[M+HCOO]- 392.09216 197.8
[M+CH3COO]- 406.10781 213.1
[M+Na-2H]- 368.06863 178.1
[M]+ 347.09341 183.9
[M]- 347.09451 183.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.