CID 47668

65542-18-9

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CN(CC1=CC=C(C=C1)OC)N=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H17N3O3/c1-19(11-12-3-9-15(22-2)10-4-12)18-17-14-7-5-13(6-8-14)16(20)21/h3-10H,11H2,1-2H3,(H,20,21)
InChIKey
DSKLAYUHVDHXSH-UHFFFAOYSA-N
Compound name
4-[[(4-methoxyphenyl)methyl-methylamino]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12698 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.134256 168.1
[M+Na]+ 322.116198 173.6
[M-H]- 298.119704 177.6
[M+NH4]+ 317.160803 183.2
[M+K]+ 338.090138 172.7
[M+H-H2O]+ 282.124240 158.6
[M+HCOO]- 344.125181 196.9
[M+CH3COO]- 358.140831 216.0
[M+Na-2H]- 320.101646 173.4
[M]+ 299.12643142 171.7
[M]- 299.12752858 171.7
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.