CID 105809

67846-59-7

Structural Information

Molecular Formula
C18H18N5O4
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1)N=NC2=CC(=C(C=C2OC)[N+]#N)OC
InChI
InChI=1S/C18H17N5O4/c1-11(24)17(18(25)20-12-7-5-4-6-8-12)23-22-14-10-15(26-2)13(21-19)9-16(14)27-3/h4-10,17H,1-3H3/p+1
InChIKey
HGHGLKGQEZWRFS-UHFFFAOYSA-O
Compound name
4-[(1-anilino-1,3-dioxobutan-2-yl)diazenyl]-2,5-dimethoxybenzenediazonium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

368.13586 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14314 193.0
[M+Na]+ 391.12508 199.0
[M-H]- 367.12858 201.2
[M+NH4]+ 386.16968 203.1
[M+K]+ 407.09902 193.1
[M+H-H2O]+ 351.13312 178.4
[M+HCOO]- 413.13406 217.0
[M+CH3COO]- 427.14971 233.5
[M+Na-2H]- 389.11053 196.7
[M]+ 368.13531 190.8
[M]- 368.13641 190.8
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.