CID 2831040

102207-59-0

Structural Information

Molecular Formula
C17H15N3O2
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H15N3O2/c21-20(22)12-5-3-4-11(10-12)16-17-14(8-9-18-16)13-6-1-2-7-15(13)19-17/h1-7,10,16,18-19H,8-9H2
InChIKey
URZDISYKQVHHJG-UHFFFAOYSA-N
Compound name
1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

8
Patents

293.11642 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.123696 163.0
[M+Na]+ 316.105638 169.4
[M-H]- 292.109144 166.5
[M+NH4]+ 311.150243 176.9
[M+K]+ 332.079578 158.3
[M+H-H2O]+ 276.113680 158.8
[M+HCOO]- 338.114621 180.5
[M+CH3COO]- 352.130271 192.1
[M+Na-2H]- 314.091086 170.6
[M]+ 293.11587142 157.3
[M]- 293.11696858 157.3
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