CID 3044846

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

Structural Information

Molecular Formula
C19H28N2O
SMILES
CCN(CC)CCC1(C2=C(CCO1)C3=CC=CC=C3N2C)C
InChI
InChI=1S/C19H28N2O/c1-5-21(6-2)13-12-19(3)18-16(11-14-22-19)15-9-7-8-10-17(15)20(18)4/h7-10H,5-6,11-14H2,1-4H3
InChIKey
YDSWVHHBVOVRPO-UHFFFAOYSA-N
Compound name
2-(1,9-dimethyl-3,4-dihydropyrano[3,4-b]indol-1-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

300.22015 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.227426 174.4
[M+Na]+ 323.209368 182.3
[M-H]- 299.212874 180.1
[M+NH4]+ 318.253973 193.7
[M+K]+ 339.183308 179.5
[M+H-H2O]+ 283.217410 166.6
[M+HCOO]- 345.218351 193.9
[M+CH3COO]- 359.234001 212.5
[M+Na-2H]- 321.194816 178.8
[M]+ 300.21960142 179.0
[M]- 300.22069858 179.0
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