CID 5702960

13640-50-1

Structural Information

Molecular Formula
C16H13NO
SMILES
C1C/C(=C\C2=CC=CC=N2)/C(=O)C3=CC=CC=C31
InChI
InChI=1S/C16H13NO/c18-16-13(11-14-6-3-4-10-17-14)9-8-12-5-1-2-7-15(12)16/h1-7,10-11H,8-9H2/b13-11+
InChIKey
ZXFHIHFMBOWHPB-ACCUITESSA-N
Compound name
(2E)-2-(pyridin-2-ylmethylidene)-3,4-dihydronaphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

235.09972 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.10700 152.3
[M+Na]+ 258.08894 159.9
[M-H]- 234.09244 158.1
[M+NH4]+ 253.13354 169.4
[M+K]+ 274.06288 154.3
[M+H-H2O]+ 218.09698 143.7
[M+HCOO]- 280.09792 172.2
[M+CH3COO]- 294.11357 164.2
[M+Na-2H]- 256.07439 159.0
[M]+ 235.09917 149.0
[M]- 235.10027 149.0
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.