CID 110866

6486-27-7

Structural Information

Molecular Formula
C19H20N4O4
SMILES
CC1=CC(=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=C(C=C2)C)[N+](=O)[O-])C
InChI
InChI=1S/C19H20N4O4/c1-11-5-7-15(13(3)9-11)20-19(25)18(14(4)24)22-21-16-8-6-12(2)10-17(16)23(26)27/h5-10,18H,1-4H3,(H,20,25)
InChIKey
LYXFVDLRJONRTM-UHFFFAOYSA-N
Compound name
N-(2,4-dimethylphenyl)-2-[(4-methyl-2-nitrophenyl)diazenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.14847 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.15575 186.0
[M+Na]+ 391.13769 197.0
[M+NH4]+ 386.18229 191.2
[M+K]+ 407.11163 194.3
[M-H]- 367.14119 191.8
[M+Na-2H]- 389.12314 192.1
[M]+ 368.14792 188.7
[M]- 368.14902 188.7
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.