CID 105280

66104-64-1

Structural Information

Molecular Formula
C20H17N5O4
SMILES
CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])OC)N=NC3=CC=C(C=C3)O
InChI
InChI=1S/C20H17N5O4/c1-13-11-19(24-22-15-5-9-17(26)10-6-15)20(29-2)12-18(13)23-21-14-3-7-16(8-4-14)25(27)28/h3-12,26H,1-2H3
InChIKey
LHPIFJDDBQLOAK-UHFFFAOYSA-N
Compound name
4-[[2-methoxy-5-methyl-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.12805 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.13533 192.1
[M+Na]+ 414.11727 206.4
[M+NH4]+ 409.16187 198.8
[M+K]+ 430.09121 200.7
[M-H]- 390.12077 202.4
[M+Na-2H]- 412.10272 203.0
[M]+ 391.12750 196.9
[M]- 391.12860 196.9
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

No patent data available for this compound.