CID 295944

4-acetoacetamidoazobenzene

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CC(=O)CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2
InChI
InChI=1S/C16H15N3O2/c1-12(20)11-16(21)17-13-7-9-15(10-8-13)19-18-14-5-3-2-4-6-14/h2-10H,11H2,1H3,(H,17,21)
InChIKey
JKFJIVKAJMBNLH-UHFFFAOYSA-N
Compound name
3-oxo-N-(4-phenyldiazenylphenyl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

281.11642 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.3
[M+Na]+ 304.10564 169.5
[M-H]- 280.10914 173.4
[M+NH4]+ 299.15024 180.0
[M+K]+ 320.07958 167.2
[M+H-H2O]+ 264.11368 155.0
[M+HCOO]- 326.11462 193.1
[M+CH3COO]- 340.13027 211.2
[M+Na-2H]- 302.09109 170.2
[M]+ 281.11587 165.4
[M]- 281.11697 165.4
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