CID 8679

N-phenyl-2-naphthylamine

Structural Information

Molecular Formula
C16H13N
SMILES
C1=CC=C(C=C1)NC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H
InChIKey
KEQFTVQCIQJIQW-UHFFFAOYSA-N
Compound name
N-phenylnaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

58
References

27483
Patents

219.1048 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.11208 146.5
[M+Na]+ 242.09402 153.9
[M-H]- 218.09752 153.9
[M+NH4]+ 237.13862 165.3
[M+K]+ 258.06796 148.5
[M+H-H2O]+ 202.10206 138.7
[M+HCOO]- 264.10300 171.1
[M+CH3COO]- 278.11865 159.4
[M+Na-2H]- 240.07947 156.5
[M]+ 219.10425 144.7
[M]- 219.10535 144.7
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