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

8
Patents

258.17322 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.180496 159.8
[M+Na]+ 281.162438 167.7
[M-H]- 257.165944 162.9
[M+NH4]+ 276.207043 179.2
[M+K]+ 297.136378 163.3
[M+H-H2O]+ 241.170480 152.8
[M+HCOO]- 303.171421 178.5
[M+CH3COO]- 317.187071 171.3
[M+Na-2H]- 279.147886 167.0
[M]+ 258.17267142 160.1
[M]- 258.17376858 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