CID 205629

Brn 1456640

Structural Information

Molecular Formula
C14H11NO
SMILES
C1=CC=C2C(C3=C(C=CC2=C1)N=CC=C3)O
InChI
InChI=1S/C14H11NO/c16-14-11-5-2-1-4-10(11)7-8-13-12(14)6-3-9-15-13/h1-9,14,16H
InChIKey
BAPDYXAOEIHIHD-UHFFFAOYSA-N
Compound name
7-azatricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.08406 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09134 142.4
[M+Na]+ 232.07328 156.4
[M+NH4]+ 227.11788 151.7
[M+K]+ 248.04722 149.7
[M-H]- 208.07678 145.8
[M+Na-2H]- 230.05873 150.6
[M]+ 209.08351 145.6
[M]- 209.08461 145.6
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

patents stripe