CID 22834

Einecs 228-786-2

Structural Information

Molecular Formula
C19H20N8O
SMILES
COC1=C(C=C(C=C1)N=NC2=C(C=C(C=C2)N)N)N=NC3=C(C=C(C=C3)N)N
InChI
InChI=1S/C19H20N8O/c1-28-19-7-4-13(24-25-16-5-2-11(20)8-14(16)22)10-18(19)27-26-17-6-3-12(21)9-15(17)23/h2-10H,20-23H2,1H3
InChIKey
GYSUSQZGUOGDNB-UHFFFAOYSA-N
Compound name
4-[[3-[(2,4-diaminophenyl)diazenyl]-4-methoxyphenyl]diazenyl]benzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

376.176 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.18328 187.3
[M+Na]+ 399.16522 194.1
[M-H]- 375.16872 201.3
[M+NH4]+ 394.20982 198.7
[M+K]+ 415.13916 191.2
[M+H-H2O]+ 359.17326 175.2
[M+HCOO]- 421.17420 222.5
[M+CH3COO]- 435.18985 248.2
[M+Na-2H]- 397.15067 192.4
[M]+ 376.17545 185.9
[M]- 376.17655 185.9
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

patents stripe