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

8
Patents

272.18887 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 164.9
[M+Na]+ 295.17809 173.7
[M-H]- 271.18159 171.1
[M+NH4]+ 290.22269 185.4
[M+K]+ 311.15203 171.4
[M+H-H2O]+ 255.18613 157.6
[M+HCOO]- 317.18707 185.2
[M+CH3COO]- 331.20272 177.5
[M+Na-2H]- 293.16354 170.5
[M]+ 272.18832 168.9
[M]- 272.18942 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