CID 3044834

1-(2-dimethylaminoethyl)-1-methyl-1,3,4,9-tetrahydropyrano(3,4-b)indole oxalate

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC1(C2=C(CCO1)C3=CC=CC=C3N2)CCN(C)C
InChI
InChI=1S/C16H22N2O/c1-16(9-10-18(2)3)15-13(8-11-19-16)12-6-4-5-7-14(12)17-15/h4-7,17H,8-11H2,1-3H3
InChIKey
SGYGNJJKORBFBS-UHFFFAOYSA-N
Compound name
N,N-dimethyl-2-(1-methyl-4,9-dihydro-3H-pyrano[3,4-b]indol-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

258.17322 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 160.5
[M+Na]+ 281.16244 168.5
[M-H]- 257.16594 165.1
[M+NH4]+ 276.20704 180.6
[M+K]+ 297.13638 165.5
[M+H-H2O]+ 241.17048 153.4
[M+HCOO]- 303.17142 179.7
[M+CH3COO]- 317.18707 172.5
[M+Na-2H]- 279.14789 166.9
[M]+ 258.17267 162.0
[M]- 258.17377 162.0
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