CID 9579501

127157-40-8

Structural Information

Molecular Formula
C15H15ClN6S2
SMILES
CC1=NC(=CC=C1)/C=N/NC(=S)NNC(=S)NC2=CC=CC=C2Cl
InChI
InChI=1S/C15H15ClN6S2/c1-10-5-4-6-11(18-10)9-17-20-15(24)22-21-14(23)19-13-8-3-2-7-12(13)16/h2-9H,1H3,(H2,19,21,23)(H2,20,22,24)/b17-9+
InChIKey
DFVPHOMSNBKKNX-RQZCQDPDSA-N
Compound name
1-(2-chlorophenyl)-3-[[(E)-(6-methylpyridin-2-yl)methylideneamino]carbamothioylamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.04883 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.05611 181.9
[M+Na]+ 401.03805 187.5
[M-H]- 377.04155 187.6
[M+NH4]+ 396.08265 193.2
[M+K]+ 417.01199 178.6
[M+H-H2O]+ 361.04609 173.5
[M+HCOO]- 423.04703 193.7
[M+CH3COO]- 437.06268 224.2
[M+Na-2H]- 399.02350 185.1
[M]+ 378.04828 182.0
[M]- 378.04938 182.0
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.