CID 20085

4'-(phenylazo)acetanilide

Structural Information

Molecular Formula
C14H13N3O
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=CC=CC=C2
InChI
InChI=1S/C14H13N3O/c1-11(18)15-12-7-9-14(10-8-12)17-16-13-5-3-2-4-6-13/h2-10H,1H3,(H,15,18)
InChIKey
WSHHPNYAXLDUTG-UHFFFAOYSA-N
Compound name
N-(4-phenyldiazenylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

90
Patents

239.10587 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.113146 152.5
[M+Na]+ 262.095088 158.7
[M-H]- 238.098594 161.9
[M+NH4]+ 257.139693 170.2
[M+K]+ 278.069028 156.3
[M+H-H2O]+ 222.103130 143.7
[M+HCOO]- 284.104071 182.6
[M+CH3COO]- 298.119721 203.0
[M+Na-2H]- 260.080536 160.7
[M]+ 239.10532142 152.8
[M]- 239.10641858 152.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe