CID 24844880

6-ethoxy-3-methyl-1-oxo-1,2,3,4-tetrahydronorharman

Structural Information

Molecular Formula
C14H16N2O2
SMILES
CCOC1=CC2=C(C=C1)NC3=C2CC(NC3=O)C
InChI
InChI=1S/C14H16N2O2/c1-3-18-9-4-5-12-10(7-9)11-6-8(2)15-14(17)13(11)16-12/h4-5,7-8,16H,3,6H2,1-2H3,(H,15,17)
InChIKey
YOYMHXVMEAWUPT-UHFFFAOYSA-N
Compound name
6-ethoxy-3-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.12119 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.12847 155.3
[M+Na]+ 267.11041 165.3
[M-H]- 243.11391 155.9
[M+NH4]+ 262.15501 173.2
[M+K]+ 283.08435 159.4
[M+H-H2O]+ 227.11845 148.5
[M+HCOO]- 289.11939 172.1
[M+CH3COO]- 303.13504 166.8
[M+Na-2H]- 265.09586 159.5
[M]+ 244.12064 155.0
[M]- 244.12174 155.0
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

No patent data available for this compound.