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

10
Patents

258.17322 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.180496 160.5
[M+Na]+ 281.162438 168.5
[M-H]- 257.165944 165.1
[M+NH4]+ 276.207043 180.6
[M+K]+ 297.136378 165.5
[M+H-H2O]+ 241.170480 153.4
[M+HCOO]- 303.171421 179.7
[M+CH3COO]- 317.187071 172.5
[M+Na-2H]- 279.147886 166.9
[M]+ 258.17267142 162.0
[M]- 258.17376858 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