CID 66863

101-52-0

Structural Information

Molecular Formula
C13H12N4O3
SMILES
COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])N
InChI
InChI=1S/C13H12N4O3/c1-20-13-8-10(4-7-12(13)14)16-15-9-2-5-11(6-3-9)17(18)19/h2-8H,14H2,1H3
InChIKey
UXLCBMUEIPAQSZ-UHFFFAOYSA-N
Compound name
2-methoxy-4-[(4-nitrophenyl)diazenyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

272.09094 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.09822 157.0
[M+Na]+ 295.08016 163.4
[M-H]- 271.08366 166.3
[M+NH4]+ 290.12476 172.4
[M+K]+ 311.05410 157.5
[M+H-H2O]+ 255.08820 152.4
[M+HCOO]- 317.08914 188.3
[M+CH3COO]- 331.10479 203.6
[M+Na-2H]- 293.06561 165.7
[M]+ 272.09039 156.7
[M]- 272.09149 156.7
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