CID 470493

Chembl340629

Structural Information

Molecular Formula
C11H11ClN4S
SMILES
C1=CC=C(C=C1)CSC2=NC(=CC(=N2)Cl)NN
InChI
InChI=1S/C11H11ClN4S/c12-9-6-10(16-13)15-11(14-9)17-7-8-4-2-1-3-5-8/h1-6H,7,13H2,(H,14,15,16)
InChIKey
PTACZYKVFNDEHZ-UHFFFAOYSA-N
Compound name
(2-benzylsulfanyl-6-chloropyrimidin-4-yl)hydrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

13
Patents

266.0393 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.04658 154.0
[M+Na]+ 289.02852 163.2
[M-H]- 265.03202 157.9
[M+NH4]+ 284.07312 168.6
[M+K]+ 305.00246 156.3
[M+H-H2O]+ 249.03656 146.2
[M+HCOO]- 311.03750 168.4
[M+CH3COO]- 325.05315 165.5
[M+Na-2H]- 287.01397 159.0
[M]+ 266.03875 155.6
[M]- 266.03985 155.6
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.