CID 47666

65542-16-7

Structural Information

Molecular Formula
C16H14N4O2
SMILES
CN(CC1=CC=C(C=C1)C#N)N=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C16H14N4O2/c1-20(11-13-4-2-12(10-17)3-5-13)19-18-15-8-6-14(7-9-15)16(21)22/h2-9H,11H2,1H3,(H,21,22)
InChIKey
GJQMFLTWFFYRLD-UHFFFAOYSA-N
Compound name
4-[[(4-cyanophenyl)methyl-methylamino]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.11166 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.11894 174.0
[M+Na]+ 317.10088 181.6
[M-H]- 293.10438 181.2
[M+NH4]+ 312.14548 187.2
[M+K]+ 333.07482 178.4
[M+H-H2O]+ 277.10892 158.1
[M+HCOO]- 339.10986 197.6
[M+CH3COO]- 353.12551 223.9
[M+Na-2H]- 315.08633 177.6
[M]+ 294.11111 170.2
[M]- 294.11221 170.2
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.