CID 369057

Nsc640586

Structural Information

Molecular Formula
C15H14ClN3O2S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC=CC=C2Cl
InChI
InChI=1S/C15H14ClN3O2S/c1-9-14(22-15(17-9)19-18-10(2)20)13(21)8-7-11-5-3-4-6-12(11)16/h3-8H,1-2H3,(H,17,19)(H,18,20)
InChIKey
SPDCZZMATIQLGL-UHFFFAOYSA-N
Compound name
N'-[5-[3-(2-chlorophenyl)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

335.04953 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.05681 177.3
[M+Na]+ 358.03875 185.4
[M-H]- 334.04225 183.4
[M+NH4]+ 353.08335 192.4
[M+K]+ 374.01269 179.0
[M+H-H2O]+ 318.04679 170.2
[M+HCOO]- 380.04773 192.0
[M+CH3COO]- 394.06338 210.3
[M+Na-2H]- 356.02420 175.8
[M]+ 335.04898 181.5
[M]- 335.05008 181.5
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.