CID 48664

(3-hydroxy-4-(phenylazo)phenyl)trimethylammonium iodide dimethylcarbamate (ester)

Structural Information

Molecular Formula
C18H23N4O2
SMILES
CN(C)C(=O)OC1=C(C=CC(=C1)[N+](C)(C)C)N=NC2=CC=CC=C2
InChI
InChI=1S/C18H23N4O2/c1-21(2)18(23)24-17-13-15(22(3,4)5)11-12-16(17)20-19-14-9-7-6-8-10-14/h6-13H,1-5H3/q+1
InChIKey
PRGNVIXCNNXZFH-UHFFFAOYSA-N
Compound name
[3-(dimethylcarbamoyloxy)-4-phenyldiazenylphenyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.1821 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.18938 176.6
[M+Na]+ 350.17132 189.9
[M+NH4]+ 345.21592 185.2
[M+K]+ 366.14526 184.0
[M-H]- 326.17482 185.1
[M+Na-2H]- 348.15677 187.2
[M]+ 327.18155 181.2
[M]- 327.18265 181.2
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.