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

0
Patents

298.2045 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.21178 172.6
[M+Na]+ 321.19372 180.5
[M-H]- 297.19722 178.8
[M+NH4]+ 316.23832 191.5
[M+K]+ 337.16766 176.2
[M+H-H2O]+ 281.20176 164.3
[M+HCOO]- 343.20270 188.8
[M+CH3COO]- 357.21835 183.6
[M+Na-2H]- 319.17917 173.9
[M]+ 298.20395 172.6
[M]- 298.20505 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