CID 3044840

1-(3-methylaminopropyl)-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)CCCNC
InChI
InChI=1S/C16H22N2O/c1-16(9-5-10-17-2)15-13(8-11-19-16)12-6-3-4-7-14(12)18-15/h3-4,6-7,17-18H,5,8-11H2,1-2H3
InChIKey
SZMLSAILHDGCAM-UHFFFAOYSA-N
Compound name
N-methyl-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

258.17322 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 159.8
[M+Na]+ 281.16244 167.7
[M-H]- 257.16594 162.9
[M+NH4]+ 276.20704 179.2
[M+K]+ 297.13638 163.3
[M+H-H2O]+ 241.17048 152.8
[M+HCOO]- 303.17142 178.5
[M+CH3COO]- 317.18707 171.3
[M+Na-2H]- 279.14789 167.0
[M]+ 258.17267 160.1
[M]- 258.17377 160.1
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