CID 5854078

Nsc640561

Structural Information

Molecular Formula
C17H19N3O3S
SMILES
CCOC1=CC=C(C=C1)/C=C/C(=O)C2=C(N=C(S2)NNC(=O)C)C
InChI
InChI=1S/C17H19N3O3S/c1-4-23-14-8-5-13(6-9-14)7-10-15(22)16-11(2)18-17(24-16)20-19-12(3)21/h5-10H,4H2,1-3H3,(H,18,20)(H,19,21)/b10-7+
InChIKey
KOBBJKFGDSBSLD-JXMROGBWSA-N
Compound name
N'-[5-[(E)-3-(4-ethoxyphenyl)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

345.11472 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12200 181.8
[M+Na]+ 368.10394 188.1
[M-H]- 344.10744 187.5
[M+NH4]+ 363.14854 195.5
[M+K]+ 384.07788 183.5
[M+H-H2O]+ 328.11198 173.4
[M+HCOO]- 390.11292 200.6
[M+CH3COO]- 404.12857 214.8
[M+Na-2H]- 366.08939 180.1
[M]+ 345.11417 186.0
[M]- 345.11527 186.0
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.