CID 27080

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

Structural Information

Molecular Formula
C20H34N2O2
SMILES
CCCCCN(CCCCC)CCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C20H34N2O2/c1-3-5-7-14-22(15-8-6-4-2)16-9-17-24-20(23)18-10-12-19(21)13-11-18/h10-13H,3-9,14-17,21H2,1-2H3
InChIKey
ZEJPHZFWBVTXBW-UHFFFAOYSA-N
Compound name
3-(dipentylamino)propyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.26202 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.26930 188.6
[M+Na]+ 357.25124 190.5
[M-H]- 333.25474 191.2
[M+NH4]+ 352.29584 202.1
[M+K]+ 373.22518 187.9
[M+H-H2O]+ 317.25928 179.7
[M+HCOO]- 379.26022 210.9
[M+CH3COO]- 393.27587 221.5
[M+Na-2H]- 355.23669 187.6
[M]+ 334.26147 193.0
[M]- 334.26257 193.0
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.