CID 58104378

[3-(naphthalen-2-yloxy)phenyl]methanamine

Structural Information

Molecular Formula
C17H15NO
SMILES
C1=CC=C2C=C(C=CC2=C1)OC3=CC=CC(=C3)CN
InChI
InChI=1S/C17H15NO/c18-12-13-4-3-7-16(10-13)19-17-9-8-14-5-1-2-6-15(14)11-17/h1-11H,12,18H2
InChIKey
NDZMEULKFVNNGV-UHFFFAOYSA-N
Compound name
(3-naphthalen-2-yloxyphenyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

249.11537 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12265 155.7
[M+Na]+ 272.10459 163.5
[M-H]- 248.10809 162.9
[M+NH4]+ 267.14919 173.3
[M+K]+ 288.07853 158.3
[M+H-H2O]+ 232.11263 147.7
[M+HCOO]- 294.11357 179.5
[M+CH3COO]- 308.12922 168.1
[M+Na-2H]- 270.09004 163.4
[M]+ 249.11482 155.1
[M]- 249.11592 155.1
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