CID 367744

Nsc637683

Structural Information

Molecular Formula
C13H13ClN6O3S
SMILES
CC1=C(SC(=N1)NC2=CC=C(C=C2)Cl)C(=O)NNC(=O)C(=O)NN
InChI
InChI=1S/C13H13ClN6O3S/c1-6-9(10(21)19-20-12(23)11(22)18-15)24-13(16-6)17-8-4-2-7(14)3-5-8/h2-5H,15H2,1H3,(H,16,17)(H,18,22)(H,19,21)(H,20,23)
InChIKey
RTCPCVSYTWNTMR-UHFFFAOYSA-N
Compound name
2-N'-[2-(4-chloroanilino)-4-methyl-1,3-thiazole-5-carbonyl]ethanedihydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.04584 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.05312 181.6
[M+Na]+ 391.03506 187.2
[M-H]- 367.03856 187.5
[M+NH4]+ 386.07966 193.9
[M+K]+ 407.00900 182.7
[M+H-H2O]+ 351.04310 173.8
[M+HCOO]- 413.04404 198.5
[M+CH3COO]- 427.05969 221.3
[M+Na-2H]- 389.02051 181.8
[M]+ 368.04529 182.6
[M]- 368.04639 182.6
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.