CID 92704

57206-92-5

Structural Information

Molecular Formula
C18H18N4O4
SMILES
CC1=CC=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C)[N+](=O)[O-]
InChI
InChI=1S/C18H18N4O4/c1-11-4-7-14(8-5-11)19-18(24)17(13(3)23)21-20-15-9-6-12(2)10-16(15)22(25)26/h4-10,17H,1-3H3,(H,19,24)
InChIKey
HGJWARUBRHEKRD-UHFFFAOYSA-N
Compound name
2-[(4-methyl-2-nitrophenyl)diazenyl]-N-(4-methylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.140076 181.5
[M+Na]+ 377.122018 185.2
[M-H]- 353.125524 190.6
[M+NH4]+ 372.166623 193.2
[M+K]+ 393.095958 179.7
[M+H-H2O]+ 337.130060 176.2
[M+HCOO]- 399.131001 209.1
[M+CH3COO]- 413.146651 221.1
[M+Na-2H]- 375.107466 185.3
[M]+ 354.13225142 181.8
[M]- 354.13334858 181.8
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.