CID 3044848

1,3,4,9-tetrahydro-1,9-dimethyl-1-(2-pyrrolidinoethyl)pyrano(3,4-b)indole hydrochloride

Structural Information

Molecular Formula
C19H26N2O
SMILES
CC1(C2=C(CCO1)C3=CC=CC=C3N2C)CCN4CCCC4
InChI
InChI=1S/C19H26N2O/c1-19(10-13-21-11-5-6-12-21)18-16(9-14-22-19)15-7-3-4-8-17(15)20(18)2/h3-4,7-8H,5-6,9-14H2,1-2H3
InChIKey
IGIHFDJJCWNQNL-UHFFFAOYSA-N
Compound name
1,9-dimethyl-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydropyrano[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

298.2045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.211776 172.6
[M+Na]+ 321.193718 180.5
[M-H]- 297.197224 178.8
[M+NH4]+ 316.238323 191.5
[M+K]+ 337.167658 176.2
[M+H-H2O]+ 281.201760 164.3
[M+HCOO]- 343.202701 188.8
[M+CH3COO]- 357.218351 183.6
[M+Na-2H]- 319.179166 173.9
[M]+ 298.20395142 172.6
[M]- 298.20504858 172.6
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