CID 248675

4,6-bis(methylthio)cinnoline

Structural Information

Molecular Formula
C10H10N2S2
SMILES
CSC1=CC2=C(C=C1)N=NC=C2SC
InChI
InChI=1S/C10H10N2S2/c1-13-7-3-4-9-8(5-7)10(14-2)6-11-12-9/h3-6H,1-2H3
InChIKey
KIMUPPDHGMAGHM-UHFFFAOYSA-N
Compound name
4,6-bis(methylsulfanyl)cinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.02853 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.03581 140.5
[M+Na]+ 245.01775 151.6
[M-H]- 221.02125 142.7
[M+NH4]+ 240.06235 158.7
[M+K]+ 260.99169 146.1
[M+H-H2O]+ 205.02579 134.2
[M+HCOO]- 267.02673 151.5
[M+CH3COO]- 281.04238 153.1
[M+Na-2H]- 243.00320 144.8
[M]+ 222.02798 144.5
[M]- 222.02908 144.5
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.