CID 108966

Einecs 262-304-1

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
2
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]+ 355.176476 185.2
[M+Na]+ 377.158418 189.5
[M-H]- 353.161924 194.5
[M+NH4]+ 372.203023 197.9
[M+K]+ 393.132358 188.2
[M+H-H2O]+ 337.166460 175.1
[M+HCOO]- 399.167401 213.0
[M+CH3COO]- 413.183051 231.0
[M+Na-2H]- 375.143866 187.4
[M]+ 354.16865142 188.1
[M]- 354.16974858 188.1
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.