CID 135583308

68966-98-3

Structural Information

Molecular Formula
C16H12N4O3
SMILES
C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=C(C=C3)[N+](=O)[O-])O)N
InChI
InChI=1S/C16H12N4O3/c17-13-7-5-10-3-1-2-4-12(10)16(13)19-18-14-8-6-11(20(22)23)9-15(14)21/h1-9,21H,17H2
InChIKey
VQAXLVSIIUKAAQ-UHFFFAOYSA-N
Compound name
2-[(2-aminonaphthalen-1-yl)diazenyl]-5-nitrophenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

308.09094 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09822 164.2
[M+Na]+ 331.08016 170.7
[M-H]- 307.08366 173.0
[M+NH4]+ 326.12476 178.3
[M+K]+ 347.05410 162.9
[M+H-H2O]+ 291.08820 159.4
[M+HCOO]- 353.08914 192.5
[M+CH3COO]- 367.10479 209.1
[M+Na-2H]- 329.06561 173.8
[M]+ 308.09039 162.4
[M]- 308.09149 162.4
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