CID 6824

85-84-7

Structural Information

Molecular Formula
C16H13N3
SMILES
C1=CC=C(C=C1)N=NC2=C(C=CC3=CC=CC=C32)N
InChI
InChI=1S/C16H13N3/c17-15-11-10-12-6-4-5-9-14(12)16(15)19-18-13-7-2-1-3-8-13/h1-11H,17H2
InChIKey
KLCDQSGLLRINHY-UHFFFAOYSA-N
Compound name
1-phenyldiazenylnaphthalen-2-amine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

11
References

1540
Patents

247.11095 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.118226 152.9
[M+Na]+ 270.100168 160.7
[M-H]- 246.103674 162.8
[M+NH4]+ 265.144773 171.2
[M+K]+ 286.074108 156.3
[M+H-H2O]+ 230.108210 144.0
[M+HCOO]- 292.109151 182.0
[M+CH3COO]- 306.124801 166.2
[M+Na-2H]- 268.085616 163.0
[M]+ 247.11040142 152.1
[M]- 247.11149858 152.1
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