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 163.6
[M+Na]+ 313.09812 171.8
[M-H]- 289.10162 166.5
[M+NH4]+ 308.14272 181.8
[M+K]+ 329.07206 166.7
[M+H-H2O]+ 273.10616 157.6
[M+HCOO]- 335.10710 178.0
[M+CH3COO]- 349.12275 174.6
[M+Na-2H]- 311.08357 166.1
[M]+ 290.10835 165.9
[M]- 290.10945 165.9
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.