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

1
Patents

260.1347 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14198 157.3
[M+Na]+ 283.12392 166.8
[M-H]- 259.12742 160.5
[M+NH4]+ 278.16852 177.4
[M+K]+ 299.09786 160.7
[M+H-H2O]+ 243.13196 151.6
[M+HCOO]- 305.13290 172.1
[M+CH3COO]- 319.14855 169.2
[M+Na-2H]- 281.10937 159.7
[M]+ 260.13415 158.6
[M]- 260.13525 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