CID 108966

60568-54-9

Structural Information

Molecular Formula
C19H22N4O3
SMILES
CCN(CC)C1=CC(=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O)NC(=O)C
InChI
InChI=1S/C19H22N4O3/c1-4-23(5-2)16-10-11-17(18(12-16)20-13(3)24)22-21-15-8-6-14(7-9-15)19(25)26/h6-12H,4-5H2,1-3H3,(H,20,24)(H,25,26)
InChIKey
KJWDSORZBMHXTG-UHFFFAOYSA-N
Compound name
4-[[2-acetamido-4-(diethylamino)phenyl]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1692 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 186.1
[M+Na]+ 377.15842 195.5
[M+NH4]+ 372.20302 191.4
[M+K]+ 393.13236 190.0
[M-H]- 353.16192 191.1
[M+Na-2H]- 375.14387 192.8
[M]+ 354.16865 188.4
[M]- 354.16975 188.4
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

No patent data available for this compound.