CID 690983

2-(naphthalen-1-yliminomethyl)-phenol

Structural Information

Molecular Formula
C17H13NO
SMILES
C1=CC=C2C(=C1)C=CC=C2N=CC3=CC=CC=C3O
InChI
InChI=1S/C17H13NO/c19-17-11-4-2-7-14(17)12-18-16-10-5-8-13-6-1-3-9-15(13)16/h1-12,19H
InChIKey
SOJUPXWRMKYNLZ-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-yliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

13
Patents

247.09972 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.10700 154.2
[M+Na]+ 270.08894 162.3
[M-H]- 246.09244 162.0
[M+NH4]+ 265.13354 172.1
[M+K]+ 286.06288 156.9
[M+H-H2O]+ 230.09698 146.2
[M+HCOO]- 292.09792 178.8
[M+CH3COO]- 306.11357 167.0
[M+Na-2H]- 268.07439 162.9
[M]+ 247.09917 153.7
[M]- 247.10027 153.7
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

patents stripe