CID 47669

65542-19-0

Structural Information

Molecular Formula
C17H18N4O3
SMILES
CC(=O)NC1=CC=C(C=C1)CN(C)N=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C17H18N4O3/c1-12(22)18-15-7-3-13(4-8-15)11-21(2)20-19-16-9-5-14(6-10-16)17(23)24/h3-10H,11H2,1-2H3,(H,18,22)(H,23,24)
InChIKey
KRBFPTXUUCFGIA-UHFFFAOYSA-N
Compound name
4-[[(4-acetamidophenyl)methyl-methylamino]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.13788 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.145156 175.8
[M+Na]+ 349.127098 180.0
[M-H]- 325.130604 185.0
[M+NH4]+ 344.171703 189.2
[M+K]+ 365.101038 179.0
[M+H-H2O]+ 309.135140 165.8
[M+HCOO]- 371.136081 204.3
[M+CH3COO]- 385.151731 223.8
[M+Na-2H]- 347.112546 179.8
[M]+ 326.13733142 177.6
[M]- 326.13842858 177.6
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.