CID 16781824

Akos000137306

Structural Information

Molecular Formula
C15H16N2O2S
SMILES
C1CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=C(C=C3)CN
InChI
InChI=1S/C15H16N2O2S/c16-11-12-5-7-14(8-6-12)20(18,19)17-10-9-13-3-1-2-4-15(13)17/h1-8H,9-11,16H2
InChIKey
HXIALIPRXZVMSU-UHFFFAOYSA-N
Compound name
[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.09326 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10054 164.9
[M+Na]+ 311.08248 173.7
[M-H]- 287.08598 171.1
[M+NH4]+ 306.12708 182.1
[M+K]+ 327.05642 168.4
[M+H-H2O]+ 271.09052 158.1
[M+HCOO]- 333.09146 181.5
[M+CH3COO]- 347.10711 198.7
[M+Na-2H]- 309.06793 168.3
[M]+ 288.09271 165.7
[M]- 288.09381 165.7
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.