CID 18070637

Akos000162403

Structural Information

Molecular Formula
C17H15NO
SMILES
C1=CC=C2C(=C1)C=CC=C2OCC3=CC(=CC=C3)N
InChI
InChI=1S/C17H15NO/c18-15-8-3-5-13(11-15)12-19-17-10-4-7-14-6-1-2-9-16(14)17/h1-11H,12,18H2
InChIKey
OPMLHBFHZXOITN-UHFFFAOYSA-N
Compound name
3-(naphthalen-1-yloxymethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.11537 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12265 157.0
[M+Na]+ 272.10459 173.2
[M+NH4]+ 267.14919 167.3
[M+K]+ 288.07853 163.6
[M-H]- 248.10809 164.0
[M+Na-2H]- 270.09004 167.8
[M]+ 249.11482 161.6
[M]- 249.11592 161.6
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

No patent data available for this compound.