CID 5898853

Nsc640563

Structural Information

Molecular Formula
C15H15N3O2S
SMILES
CC1=CC=CC=C1/C=C/C(=O)C2=CN=C(S2)NNC(=O)C
InChI
InChI=1S/C15H15N3O2S/c1-10-5-3-4-6-12(10)7-8-13(20)14-9-16-15(21-14)18-17-11(2)19/h3-9H,1-2H3,(H,16,18)(H,17,19)/b8-7+
InChIKey
ARUJCKNBXWPHTG-BQYQJAHWSA-N
Compound name
N'-[5-[(E)-3-(2-methylphenyl)prop-2-enoyl]-1,3-thiazol-2-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.0885 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.09578 170.1
[M+Na]+ 324.07772 176.8
[M-H]- 300.08122 175.9
[M+NH4]+ 319.12232 185.5
[M+K]+ 340.05166 172.0
[M+H-H2O]+ 284.08576 162.0
[M+HCOO]- 346.08670 189.5
[M+CH3COO]- 360.10235 205.4
[M+Na-2H]- 322.06317 169.8
[M]+ 301.08795 171.9
[M]- 301.08905 171.9
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.