CID 5867533

Nsc648586

Structural Information

Molecular Formula
C17H17N3O2S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C17H17N3O2S/c1-12-16(23-17(18-12)20-19-13(2)21)15(22)11-7-6-10-14-8-4-3-5-9-14/h3-11H,1-2H3,(H,18,20)(H,19,21)/b10-6+,11-7+
InChIKey
TTZULNFOELAVHR-JMQWPVDRSA-N
Compound name
N'-[4-methyl-5-[(2E,4E)-5-phenylpenta-2,4-dienoyl]-1,3-thiazol-2-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.10416 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.11144 178.5
[M+Na]+ 350.09338 184.6
[M-H]- 326.09688 184.0
[M+NH4]+ 345.13798 192.8
[M+K]+ 366.06732 178.8
[M+H-H2O]+ 310.10142 170.1
[M+HCOO]- 372.10236 197.3
[M+CH3COO]- 386.11801 209.9
[M+Na-2H]- 348.07883 177.2
[M]+ 327.10361 180.1
[M]- 327.10471 180.1
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.