CID 369031

Nsc640560

Structural Information

Molecular Formula
C15H13Cl2N3O2S
SMILES
CC1=C(SC(=N1)NNC(=O)C)C(=O)C=CC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C15H13Cl2N3O2S/c1-8-14(23-15(18-8)20-19-9(2)21)13(22)6-4-10-3-5-11(16)12(17)7-10/h3-7H,1-2H3,(H,18,20)(H,19,21)
InChIKey
HWFJSRNQHJTPKQ-UHFFFAOYSA-N
Compound name
N'-[5-[3-(3,4-dichlorophenyl)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

369.01056 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.01784 183.5
[M+Na]+ 391.99978 192.6
[M-H]- 368.00328 189.3
[M+NH4]+ 387.04438 198.0
[M+K]+ 407.97372 185.3
[M+H-H2O]+ 352.00782 177.5
[M+HCOO]- 414.00876 193.1
[M+CH3COO]- 428.02441 215.6
[M+Na-2H]- 389.98523 180.7
[M]+ 369.01001 189.1
[M]- 369.01111 189.1
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.