CID 47670

65542-20-3

Structural Information

Molecular Formula
C19H23N3O2
SMILES
CC(C)(C)C1=CC=C(C=C1)CN(C)N=NC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C19H23N3O2/c1-19(2,3)16-9-5-14(6-10-16)13-22(4)21-20-17-11-7-15(8-12-17)18(23)24/h5-12H,13H2,1-4H3,(H,23,24)
InChIKey
YPWNPYJNMLENNZ-UHFFFAOYSA-N
Compound name
4-[[(4-tert-butylphenyl)methyl-methylamino]diazenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.17902 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.186296 178.7
[M+Na]+ 348.168238 183.6
[M-H]- 324.171744 188.0
[M+NH4]+ 343.212843 193.1
[M+K]+ 364.142178 182.0
[M+H-H2O]+ 308.176280 169.6
[M+HCOO]- 370.177221 204.7
[M+CH3COO]- 384.192871 222.6
[M+Na-2H]- 346.153686 183.2
[M]+ 325.17847142 181.5
[M]- 325.17956858 181.5
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.