CID 88254

Disperse orange 29

Structural Information

Molecular Formula
C19H15N5O4
SMILES
COC1=C(C=CC(=C1)N=NC2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC=C(C=C3)O
InChI
InChI=1S/C19H15N5O4/c1-28-19-12-15(22-20-13-2-7-16(8-3-13)24(26)27)6-11-18(19)23-21-14-4-9-17(25)10-5-14/h2-12,25H,1H3
InChIKey
PTIVACHGVHIMMK-UHFFFAOYSA-N
Compound name
4-[[2-methoxy-4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

309
Patents

377.1124 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11968 187.2
[M+Na]+ 400.10162 201.3
[M+NH4]+ 395.14622 194.0
[M+K]+ 416.07556 195.7
[M-H]- 376.10512 197.4
[M+Na-2H]- 398.08707 198.6
[M]+ 377.11185 191.9
[M]- 377.11295 191.9
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