CID 27078

P-aminobenzoic acid 2-(dipentylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CCCCCN(CCCCC)CCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C19H32N2O2/c1-3-5-7-13-21(14-8-6-4-2)15-16-23-19(22)17-9-11-18(20)12-10-17/h9-12H,3-8,13-16,20H2,1-2H3
InChIKey
ODIGWKFDGJKIHJ-UHFFFAOYSA-N
Compound name
2-(dipentylamino)ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.24637 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.25365 184.1
[M+Na]+ 343.23559 186.5
[M-H]- 319.23909 186.9
[M+NH4]+ 338.28019 198.2
[M+K]+ 359.20953 184.1
[M+H-H2O]+ 303.24363 175.4
[M+HCOO]- 365.24457 206.8
[M+CH3COO]- 379.26022 218.5
[M+Na-2H]- 341.22104 183.6
[M]+ 320.24582 188.1
[M]- 320.24692 188.1
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.