CID 65595

Tipindole

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
CN(C)CCOC(=O)C1=CC2=C(C=C1)NC3=C2CSCC3
InChI
InChI=1S/C16H20N2O2S/c1-18(2)6-7-20-16(19)11-3-4-14-12(9-11)13-10-21-8-5-15(13)17-14/h3-4,9,17H,5-8,10H2,1-2H3
InChIKey
WNDHLINIYZAWCR-UHFFFAOYSA-N
Compound name
2-(dimethylamino)ethyl 1,3,4,5-tetrahydrothiopyrano[4,3-b]indole-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

46
Patents

304.12454 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13182 168.7
[M+Na]+ 327.11376 175.6
[M-H]- 303.11726 172.4
[M+NH4]+ 322.15836 186.6
[M+K]+ 343.08770 171.7
[M+H-H2O]+ 287.12180 162.1
[M+HCOO]- 349.12274 183.2
[M+CH3COO]- 363.13839 205.5
[M+Na-2H]- 325.09921 170.6
[M]+ 304.12399 172.1
[M]- 304.12509 172.1
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.