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 189.9
[M+Na]+ 414.11727 195.3
[M-H]- 390.12077 203.7
[M+NH4]+ 409.16187 200.5
[M+K]+ 430.09121 188.8
[M+H-H2O]+ 374.12531 182.2
[M+HCOO]- 436.12625 222.9
[M+CH3COO]- 450.14190 231.8
[M+Na-2H]- 412.10272 198.2
[M]+ 391.12750 192.5
[M]- 391.12860 192.5
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

No patent data available for this compound.