CID 6367241

30927-98-1

Structural Information

Molecular Formula
C21H19N7O
SMILES
CCOC1=C(C=C(C(=C1)N=NC2=CC=C(C=C2)NC3=CC=C(C=C3)[N+]#N)C)[N+]#N
InChI
InChI=1S/C21H19N7O/c1-3-29-21-13-19(14(2)12-20(21)26-23)28-27-18-10-6-16(7-11-18)24-15-4-8-17(25-22)9-5-15/h4-13,24H,3H2,1-2H3/q+2
InChIKey
KYGKRHRLRKCAHR-UHFFFAOYSA-N
Compound name
4-[[4-(4-diazonioanilino)phenyl]diazenyl]-2-ethoxy-5-methylbenzenediazonium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.1651 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17238 206.0
[M+Na]+ 408.15432 213.7
[M-H]- 384.15782 213.3
[M+NH4]+ 403.19892 212.3
[M+K]+ 424.12826 201.5
[M+H-H2O]+ 368.16236 190.0
[M+HCOO]- 430.16330 222.6
[M+CH3COO]- 444.17895 244.3
[M+Na-2H]- 406.13977 209.1
[M]+ 385.16455 198.0
[M]- 385.16565 198.0
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.