CID 699522

Dtxsid201037783

Structural Information

Molecular Formula
C18H19N3O
SMILES
C1CC2=CC(=C(C3=C2N(C1)CCC3)O)N=NC4=CC=CC=C4
InChI
InChI=1S/C18H19N3O/c22-18-15-9-5-11-21-10-4-6-13(17(15)21)12-16(18)20-19-14-7-2-1-3-8-14/h1-3,7-8,12,22H,4-6,9-11H2
InChIKey
VUDVSBCKIRWZDE-UHFFFAOYSA-N
Compound name
7-phenyldiazenyl-1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-trien-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.1528 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.16008 165.2
[M+Na]+ 316.14202 170.3
[M-H]- 292.14552 171.7
[M+NH4]+ 311.18662 181.0
[M+K]+ 332.11596 165.5
[M+H-H2O]+ 276.15006 155.0
[M+HCOO]- 338.15100 184.5
[M+CH3COO]- 352.16665 175.5
[M+Na-2H]- 314.12747 173.2
[M]+ 293.15225 161.9
[M]- 293.15335 161.9
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.