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]+ 300.13426 168.1
[M+Na]+ 322.11620 173.6
[M-H]- 298.11970 177.6
[M+NH4]+ 317.16080 183.2
[M+K]+ 338.09014 172.7
[M+H-H2O]+ 282.12424 158.6
[M+HCOO]- 344.12518 196.9
[M+CH3COO]- 358.14083 216.0
[M+Na-2H]- 320.10165 173.4
[M]+ 299.12643 171.7
[M]- 299.12753 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.