CID 49766874

8,9-dimethoxy-1-methyl-1h-benzo[de][1,6]naphthyridine (1n-methylaaptamine)

Structural Information

Molecular Formula
C14H15N2O2
SMILES
C[N+]1=C2C3=C(C=C1)NC=CC3=CC(=C2OC)OC
InChI
InChI=1S/C14H14N2O2/c1-16-7-5-10-12-9(4-6-15-10)8-11(17-2)14(18-3)13(12)16/h4-8H,1-3H3/p+1
InChIKey
FTAOPPTXDMFPFY-UHFFFAOYSA-O
Compound name
11,12-dimethoxy-2-methyl-6-aza-2-azoniatricyclo[7.3.1.05,13]trideca-1,3,5(13),7,9,11-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.11336 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.12064 156.7
[M+Na]+ 266.10258 166.4
[M-H]- 242.10608 158.2
[M+NH4]+ 261.14718 173.4
[M+K]+ 282.07652 156.6
[M+H-H2O]+ 226.11062 151.3
[M+HCOO]- 288.11156 173.6
[M+CH3COO]- 302.12721 187.9
[M+Na-2H]- 264.08803 166.9
[M]+ 243.11281 158.6
[M]- 243.11391 158.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.