CID 214747

5-ethynyl-5h-benzo[4,5]cyclohepta[1,2-b]pyridin-5-ol

Structural Information

Molecular Formula
C16H11NO
SMILES
C#CC1(C2=C(C=CC3=CC=CC=C31)N=CC=C2)O
InChI
InChI=1S/C16H11NO/c1-2-16(18)13-7-4-3-6-12(13)9-10-15-14(16)8-5-11-17-15/h1,3-11,18H
InChIKey
HOWPFSRCISEIJK-UHFFFAOYSA-N
Compound name
2-ethynyl-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

0
Patents

233.08406 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.09134 151.8
[M+Na]+ 256.07328 165.0
[M+NH4]+ 251.11788 158.2
[M+K]+ 272.04722 154.0
[M-H]- 232.07678 147.3
[M+Na-2H]- 254.05873 157.4
[M]+ 233.08351 152.0
[M]- 233.08461 152.0
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

No patent data available for this compound.