CID 110864

Butanamide, 2-((4-methyl-2-nitrophenyl)azo)-n-(2-methylphenyl)-3-oxo-

Structural Information

Molecular Formula
C18H18N4O4
SMILES
CC1=CC(=C(C=C1)N=NC(C(=O)C)C(=O)NC2=CC=CC=C2C)[N+](=O)[O-]
InChI
InChI=1S/C18H18N4O4/c1-11-8-9-15(16(10-11)22(25)26)20-21-17(13(3)23)18(24)19-14-7-5-4-6-12(14)2/h4-10,17H,1-3H3,(H,19,24)
InChIKey
UVCNYGKGCXIZDV-UHFFFAOYSA-N
Compound name
2-[(4-methyl-2-nitrophenyl)diazenyl]-N-(2-methylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

354.1328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14008 181.5
[M+Na]+ 377.12202 185.2
[M-H]- 353.12552 190.6
[M+NH4]+ 372.16662 193.2
[M+K]+ 393.09596 179.7
[M+H-H2O]+ 337.13006 176.2
[M+HCOO]- 399.13100 209.1
[M+CH3COO]- 413.14665 221.1
[M+Na-2H]- 375.10747 185.3
[M]+ 354.13225 181.8
[M]- 354.13335 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

patents stripe