CID 27098

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

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCCCN(CCCC)CCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C17H28N2O2/c1-3-5-11-19(12-6-4-2)13-14-21-17(20)15-7-9-16(18)10-8-15/h7-10H,3-6,11-14,18H2,1-2H3
InChIKey
JQRLPHKPCFMGAM-UHFFFAOYSA-N
Compound name
2-(dibutylamino)ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.22238 175.0
[M+Na]+ 315.20432 178.3
[M-H]- 291.20782 178.3
[M+NH4]+ 310.24892 190.2
[M+K]+ 331.17826 176.3
[M+H-H2O]+ 275.21236 166.7
[M+HCOO]- 337.21330 198.4
[M+CH3COO]- 351.22895 212.6
[M+Na-2H]- 313.18977 175.6
[M]+ 292.21455 178.3
[M]- 292.21565 178.3
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.