CID 3056154

Thiopyrano(2,3-b)indole-9-ethanamine, 3,4-dihydro-n,n-dimethyl-4-((methylamino)methyl)-, 2hcl

Structural Information

Molecular Formula
C17H25N3S
SMILES
CN(C)CCN1C2=C(C(CCC2)SCN)C3=CC=CC=C31
InChI
InChI=1S/C17H25N3S/c1-19(2)10-11-20-14-7-4-3-6-13(14)17-15(20)8-5-9-16(17)21-12-18/h3-4,6-7,16H,5,8-12,18H2,1-2H3
InChIKey
YCYQCNMVXYGBIY-UHFFFAOYSA-N
Compound name
2-[4-(aminomethylsulfanyl)-1,2,3,4-tetrahydrocarbazol-9-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.1769 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.18418 169.9
[M+Na]+ 326.16612 177.2
[M-H]- 302.16962 174.4
[M+NH4]+ 321.21072 188.5
[M+K]+ 342.14006 172.4
[M+H-H2O]+ 286.17416 162.6
[M+HCOO]- 348.17510 186.3
[M+CH3COO]- 362.19075 180.8
[M+Na-2H]- 324.15157 171.4
[M]+ 303.17635 172.7
[M]- 303.17745 172.7
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.