CID 3044870

Pyrano(3,4-b)indole, 1,3,4,9-tetrahydro-1,1-dimethyl-9-(3-(dimethylamino)propyl)-, hydrochloride

Structural Information

Molecular Formula
C18H26N2O
SMILES
CC1(C2=C(CCO1)C3=CC=CC=C3N2CCCN(C)C)C
InChI
InChI=1S/C18H26N2O/c1-18(2)17-15(10-13-21-18)14-8-5-6-9-16(14)20(17)12-7-11-19(3)4/h5-6,8-9H,7,10-13H2,1-4H3
InChIKey
TYDFYTZKEWAAPH-UHFFFAOYSA-N
Compound name
3-(1,1-dimethyl-3,4-dihydropyrano[3,4-b]indol-9-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.2045 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.21178 168.9
[M+Na]+ 309.19372 182.0
[M+NH4]+ 304.23832 179.7
[M+K]+ 325.16766 174.0
[M-H]- 285.19722 174.0
[M+Na-2H]- 307.17917 174.8
[M]+ 286.20395 172.5
[M]- 286.20505 172.5
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.