CID 3056109

N,5,8-trimethyl-2,3,4,9-tetrahydrothiopyrano(2,3-b)indole-4-methylamine hydrochloride

Structural Information

Molecular Formula
C15H20N2S
SMILES
CC1=C2C3=C(NC2=C(C=C1)C)SCCC3CNC
InChI
InChI=1S/C15H20N2S/c1-9-4-5-10(2)14-12(9)13-11(8-16-3)6-7-18-15(13)17-14/h4-5,11,16-17H,6-8H2,1-3H3
InChIKey
ZWDJDLNIELKHJV-UHFFFAOYSA-N
Compound name
1-(5,8-dimethyl-2,3,4,9-tetrahydrothiopyrano[2,3-b]indol-4-yl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

260.1347 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.141976 157.3
[M+Na]+ 283.123918 166.8
[M-H]- 259.127424 160.5
[M+NH4]+ 278.168523 177.4
[M+K]+ 299.097858 160.7
[M+H-H2O]+ 243.131960 151.6
[M+HCOO]- 305.132901 172.1
[M+CH3COO]- 319.148551 169.2
[M+Na-2H]- 281.109366 159.7
[M]+ 260.13415142 158.6
[M]- 260.13524858 158.6
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