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 176.4
[M+Na]+ 350.17132 181.3
[M-H]- 326.17482 188.6
[M+NH4]+ 345.21592 191.6
[M+K]+ 366.14526 175.8
[M+H-H2O]+ 310.17936 169.3
[M+HCOO]- 372.18030 206.0
[M+CH3COO]- 386.19595 221.6
[M+Na-2H]- 348.15677 185.1
[M]+ 327.18155 179.8
[M]- 327.18265 179.8
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.