CID 81249

4-((4-nitrophenyl)azo)-1-naphthylamine

Structural Information

Molecular Formula
C16H12N4O2
SMILES
C1=CC=C2C(=C1)C(=CC=C2N=NC3=CC=C(C=C3)[N+](=O)[O-])N
InChI
InChI=1S/C16H12N4O2/c17-15-9-10-16(14-4-2-1-3-13(14)15)19-18-11-5-7-12(8-6-11)20(21)22/h1-10H,17H2
InChIKey
YDDXIMLCWVDKRS-UHFFFAOYSA-N
Compound name
4-[(4-nitrophenyl)diazenyl]naphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.09604 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.10332 161.3
[M+Na]+ 315.08526 167.6
[M-H]- 291.08876 171.1
[M+NH4]+ 310.12986 176.6
[M+K]+ 331.05920 159.9
[M+H-H2O]+ 275.09330 156.3
[M+HCOO]- 337.09424 191.0
[M+CH3COO]- 351.10989 208.3
[M+Na-2H]- 313.07071 171.7
[M]+ 292.09549 159.5
[M]- 292.09659 159.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe