CID 50802

69781-52-8

Structural Information

Molecular Formula
C21H36N2O2
SMILES
CCCCCCCCCCNC(C)(C)COC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C21H36N2O2/c1-4-5-6-7-8-9-10-11-16-23-21(2,3)17-25-20(24)18-12-14-19(22)15-13-18/h12-15,23H,4-11,16-17,22H2,1-3H3
InChIKey
YYUVJKCVXDAXDO-UHFFFAOYSA-N
Compound name
[2-(decylamino)-2-methylpropyl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.27768 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.28496 191.7
[M+Na]+ 371.26690 199.0
[M+NH4]+ 366.31150 196.8
[M+K]+ 387.24084 192.4
[M-H]- 347.27040 192.7
[M+Na-2H]- 369.25235 194.4
[M]+ 348.27713 192.7
[M]- 348.27823 192.7
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.