CID 87372

17952-87-3

Structural Information

Molecular Formula
C12H12N2O2
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3=O
InChI
InChI=1S/C12H12N2O2/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKey
PWARHDUWOJUADN-UHFFFAOYSA-N
Compound name
6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

33
Patents

216.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 145.6
[M+Na]+ 239.07909 155.6
[M-H]- 215.08259 146.2
[M+NH4]+ 234.12369 164.4
[M+K]+ 255.05303 150.1
[M+H-H2O]+ 199.08713 138.9
[M+HCOO]- 261.08807 163.1
[M+CH3COO]- 275.10372 157.7
[M+Na-2H]- 237.06454 151.6
[M]+ 216.08932 144.2
[M]- 216.09042 144.2
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

patents stripe