CID 62608

Fat brown rr

Structural Information

Molecular Formula
C16H14N4
SMILES
C1=CC=C2C(=C1)C=CC=C2N=NC3=C(C=C(C=C3)N)N
InChI
InChI=1S/C16H14N4/c17-12-8-9-16(14(18)10-12)20-19-15-7-3-5-11-4-1-2-6-13(11)15/h1-10H,17-18H2
InChIKey
AHWMWMNEYBHQNL-UHFFFAOYSA-N
Compound name
4-(naphthalen-1-yldiazenyl)benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

560
Patents

262.12186 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.12914 156.7
[M+Na]+ 285.11108 164.6
[M-H]- 261.11458 166.4
[M+NH4]+ 280.15568 174.1
[M+K]+ 301.08502 160.0
[M+H-H2O]+ 245.11912 147.7
[M+HCOO]- 307.12006 186.2
[M+CH3COO]- 321.13571 169.5
[M+Na-2H]- 283.09653 165.5
[M]+ 262.12131 154.8
[M]- 262.12241 154.8
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