CID 165945748

(2,3-dihydro-1h-indol-6-yl)(imino)methyl-lambda6-sulfanone dihydrochloride

Structural Information

Molecular Formula
C9H12N2OS
SMILES
CS(=N)(=O)C1=CC2=C(CCN2)C=C1
InChI
InChI=1S/C9H12N2OS/c1-13(10,12)8-3-2-7-4-5-11-9(7)6-8/h2-3,6,10-11H,4-5H2,1H3
InChIKey
OJLRTJPMCNXMEL-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-indol-6-yl-imino-methyl-oxo-lambda6-sulfane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

196.06703 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.074306 140.5
[M+Na]+ 219.056248 149.4
[M-H]- 195.059754 142.8
[M+NH4]+ 214.100853 161.3
[M+K]+ 235.030188 144.9
[M+H-H2O]+ 179.064290 135.5
[M+HCOO]- 241.065231 156.5
[M+CH3COO]- 255.080881 179.6
[M+Na-2H]- 217.041696 145.5
[M]+ 196.06648142 139.0
[M]- 196.06757858 139.0
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

patents stripe