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]+ 321.25365 183.3
[M+Na]+ 343.23559 191.1
[M+NH4]+ 338.28019 188.8
[M+K]+ 359.20953 185.4
[M-H]- 319.23909 184.7
[M+Na-2H]- 341.22104 185.6
[M]+ 320.24582 184.4
[M]- 320.24692 184.4
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.