CID 9588138

1h-pyrido(3,4-b)indol-1-one, 2,3,4,9-tetrahydro-5-(1-hydrazonoethyl)-6-methoxy-

Structural Information

Molecular Formula
C14H16N4O2
SMILES
C/C(=N\N)/C1=C(C=CC2=C1C3=C(N2)C(=O)NCC3)OC
InChI
InChI=1S/C14H16N4O2/c1-7(18-15)11-10(20-2)4-3-9-12(11)8-5-6-16-14(19)13(8)17-9/h3-4,17H,5-6,15H2,1-2H3,(H,16,19)/b18-7+
InChIKey
PFWPAEFCNAAVTJ-CNHKJKLMSA-N
Compound name
5-ethanehydrazonoyl-6-methoxy-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

272.12732 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.134596 160.5
[M+Na]+ 295.116538 169.1
[M-H]- 271.120044 162.1
[M+NH4]+ 290.161143 176.9
[M+K]+ 311.090478 163.8
[M+H-H2O]+ 255.124580 153.1
[M+HCOO]- 317.125521 179.4
[M+CH3COO]- 331.141171 201.9
[M+Na-2H]- 293.101986 164.4
[M]+ 272.12677142 158.4
[M]- 272.12786858 158.4
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.