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

3
Patents

209.08406 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.091336 142.5
[M+Na]+ 232.073278 151.0
[M-H]- 208.076784 147.1
[M+NH4]+ 227.117883 160.7
[M+K]+ 248.047218 150.2
[M+H-H2O]+ 192.081320 137.4
[M+HCOO]- 254.082261 162.2
[M+CH3COO]- 268.097911 155.1
[M+Na-2H]- 230.058726 152.1
[M]+ 209.08351142 139.7
[M]- 209.08460858 139.7
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