CID 7141

4-(2-naphthylamino)phenol

Structural Information

Molecular Formula
C16H13NO
SMILES
C1=CC=C2C=C(C=CC2=C1)NC3=CC=C(C=C3)O
InChI
InChI=1S/C16H13NO/c18-16-9-7-14(8-10-16)17-15-6-5-12-3-1-2-4-13(12)11-15/h1-11,17-18H
InChIKey
RACMGQBQYYWANW-UHFFFAOYSA-N
Compound name
4-(naphthalen-2-ylamino)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

226
Patents

235.09972 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.106996 150.2
[M+Na]+ 258.088938 158.0
[M-H]- 234.092444 156.8
[M+NH4]+ 253.133543 167.9
[M+K]+ 274.062878 152.5
[M+H-H2O]+ 218.096980 142.8
[M+HCOO]- 280.097921 173.5
[M+CH3COO]- 294.113571 162.7
[M+Na-2H]- 256.074386 159.1
[M]+ 235.09917142 148.5
[M]- 235.10026858 148.5
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