CID 43302214

5-{[(2-chlorophenyl)methyl]sulfanyl}pyridin-2-amine

Structural Information

Molecular Formula
C12H11ClN2S
SMILES
C1=CC=C(C(=C1)CSC2=CN=C(C=C2)N)Cl
InChI
InChI=1S/C12H11ClN2S/c13-11-4-2-1-3-9(11)8-16-10-5-6-12(14)15-7-10/h1-7H,8H2,(H2,14,15)
InChIKey
LAXBQQMJQILTHD-UHFFFAOYSA-N
Compound name
5-[(2-chlorophenyl)methylsulfanyl]pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

250.03314 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.04042 151.0
[M+Na]+ 273.02236 160.7
[M-H]- 249.02586 156.3
[M+NH4]+ 268.06696 168.1
[M+K]+ 288.99630 153.9
[M+H-H2O]+ 233.03040 144.3
[M+HCOO]- 295.03134 165.4
[M+CH3COO]- 309.04699 163.4
[M+Na-2H]- 271.00781 154.7
[M]+ 250.03259 153.2
[M]- 250.03369 153.2
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

patents stripe