CID 20829

P-aminobenzoic acid 2-(2-octylamino)-2,2-dimethylethyl ester

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CCCCCCC(C)NC1=C(C=CC(=C1)N)C(=O)OCC(C)C
InChI
InChI=1S/C19H32N2O2/c1-5-6-7-8-9-15(4)21-18-12-16(20)10-11-17(18)19(22)23-13-14(2)3/h10-12,14-15,21H,5-9,13,20H2,1-4H3
InChIKey
HQTQNLPXPPYNLO-UHFFFAOYSA-N
Compound name
2-methylpropyl 4-amino-2-(octan-2-ylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.24637 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.253646 184.6
[M+Na]+ 343.235588 187.3
[M-H]- 319.239094 186.6
[M+NH4]+ 338.280193 198.2
[M+K]+ 359.209528 184.7
[M+H-H2O]+ 303.243630 176.6
[M+HCOO]- 365.244571 204.8
[M+CH3COO]- 379.260221 218.2
[M+Na-2H]- 341.221036 181.7
[M]+ 320.24582142 186.5
[M]- 320.24691858 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.