CID 3044850

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

Structural Information

Molecular Formula
C20H28N2O
SMILES
CC1(C2=C(CCO1)C3=CC=CC=C3N2C)CCN4CCCCC4
InChI
InChI=1S/C20H28N2O/c1-20(11-14-22-12-6-3-7-13-22)19-17(10-15-23-20)16-8-4-5-9-18(16)21(19)2/h4-5,8-9H,3,6-7,10-15H2,1-2H3
InChIKey
PCUZKSULWIPWPS-UHFFFAOYSA-N
Compound name
1,9-dimethyl-1-(2-piperidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

312.22015 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.227426 177.5
[M+Na]+ 335.209368 184.0
[M-H]- 311.212874 182.7
[M+NH4]+ 330.253973 193.7
[M+K]+ 351.183308 179.3
[M+H-H2O]+ 295.217410 167.5
[M+HCOO]- 357.218351 190.8
[M+CH3COO]- 371.234001 187.1
[M+Na-2H]- 333.194816 180.0
[M]+ 312.21960142 175.3
[M]- 312.22069858 175.3
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