CID 27090

P-aminobenzoic acid 3-(diisopentylamino)propyl ester hydrochloride

Structural Information

Molecular Formula
C20H34N2O2
SMILES
CC(C)CCN(CCCOC(=O)C1=CC=C(C=C1)N)CCC(C)C
InChI
InChI=1S/C20H34N2O2/c1-16(2)10-13-22(14-11-17(3)4)12-5-15-24-20(23)18-6-8-19(21)9-7-18/h6-9,16-17H,5,10-15,21H2,1-4H3
InChIKey
HPTUMMWDTOTRAL-UHFFFAOYSA-N
Compound name
3-[bis(3-methylbutyl)amino]propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.26202 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.26930 189.8
[M+Na]+ 357.25124 191.3
[M-H]- 333.25474 192.6
[M+NH4]+ 352.29584 203.1
[M+K]+ 373.22518 189.8
[M+H-H2O]+ 317.25928 181.2
[M+HCOO]- 379.26022 210.1
[M+CH3COO]- 393.27587 223.3
[M+Na-2H]- 355.23669 186.3
[M]+ 334.26147 192.9
[M]- 334.26257 192.9
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.