CID 3042671

1-(2-dimethylaminoethyl)-1,9-dimethyl-1,3,4,9-tetrahydropyrano(3,4-b)indole hydrochloride

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC1(C2=C(CCO1)C3=CC=CC=C3N2C)CCN(C)C
InChI
InChI=1S/C17H24N2O/c1-17(10-11-18(2)3)16-14(9-12-20-17)13-7-5-6-8-15(13)19(16)4/h5-8H,9-12H2,1-4H3
InChIKey
LTEYSFWXXLXCGA-UHFFFAOYSA-N
Compound name
2-(1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

272.18887 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 164.9
[M+Na]+ 295.178088 173.7
[M-H]- 271.181594 171.1
[M+NH4]+ 290.222693 185.4
[M+K]+ 311.152028 171.4
[M+H-H2O]+ 255.186130 157.6
[M+HCOO]- 317.187071 185.2
[M+CH3COO]- 331.202721 177.5
[M+Na-2H]- 293.163536 170.5
[M]+ 272.18832142 168.9
[M]- 272.18941858 168.9
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