CID 235836

1-(alpha-aminobenzyl)-2-naphthol

Structural Information

Molecular Formula
C17H15NO
SMILES
C1=CC=C(C=C1)C(C2=C(C=CC3=CC=CC=C32)O)N
InChI
InChI=1S/C17H15NO/c18-17(13-7-2-1-3-8-13)16-14-9-5-4-6-12(14)10-11-15(16)19/h1-11,17,19H,18H2
InChIKey
PZMIGEOOGFFCNT-UHFFFAOYSA-N
Compound name
1-[amino(phenyl)methyl]naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

193
Patents

249.11537 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.12265 156.1
[M+Na]+ 272.10459 163.1
[M-H]- 248.10809 162.0
[M+NH4]+ 267.14919 172.8
[M+K]+ 288.07853 157.6
[M+H-H2O]+ 232.11263 148.6
[M+HCOO]- 294.11357 177.4
[M+CH3COO]- 308.12922 167.7
[M+Na-2H]- 270.09004 162.1
[M]+ 249.11482 153.0
[M]- 249.11592 153.0
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

patents stripe