CID 3056147

73426-20-7

Structural Information

Molecular Formula
C15H18N2O2S
SMILES
CNCCC1CCSC2=C1C3=CC=CC=C3N2C(=O)O
InChI
InChI=1S/C15H18N2O2S/c1-16-8-6-10-7-9-20-14-13(10)11-4-2-3-5-12(11)17(14)15(18)19/h2-5,10,16H,6-9H2,1H3,(H,18,19)
InChIKey
CDRVDLZKGVAWKH-UHFFFAOYSA-N
Compound name
4-[2-(methylamino)ethyl]-3,4-dihydro-2H-thiopyrano[2,3-b]indole-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.1089 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.11618 164.3
[M+Na]+ 313.09812 175.2
[M+NH4]+ 308.14272 172.8
[M+K]+ 329.07206 168.4
[M-H]- 289.10162 166.4
[M+Na-2H]- 311.08357 167.7
[M]+ 290.10835 166.7
[M]- 290.10945 166.7
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.