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

7
Patents

272.18887 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.196146 165.2
[M+Na]+ 295.178088 172.7
[M-H]- 271.181594 169.6
[M+NH4]+ 290.222693 184.7
[M+K]+ 311.152028 169.5
[M+H-H2O]+ 255.186130 157.9
[M+HCOO]- 317.187071 184.0
[M+CH3COO]- 331.202721 176.8
[M+Na-2H]- 293.163536 171.0
[M]+ 272.18832142 167.0
[M]- 272.18941858 167.0
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