CID 3044838

1-(3-dimethylaminopropyl)-1-methyl-1,3,4,9-tetrahydropyrano(3,4-b)indole oxalate

Structural Information

Molecular Formula
C17H24N2O
SMILES
CC1(C2=C(CCO1)C3=CC=CC=C3N2)CCCN(C)C
InChI
InChI=1S/C17H24N2O/c1-17(10-6-11-19(2)3)16-14(9-12-20-17)13-7-4-5-8-15(13)18-16/h4-5,7-8,18H,6,9-12H2,1-3H3
InChIKey
NYUIMDPOZGCRLZ-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

272.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.19615 165.0
[M+Na]+ 295.17809 177.3
[M+NH4]+ 290.22269 175.5
[M+K]+ 311.15203 169.7
[M-H]- 271.18159 169.5
[M+Na-2H]- 293.16354 170.7
[M]+ 272.18832 168.2
[M]- 272.18942 168.2
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

No patent data available for this compound.