CID 50830

P-aminobenzoic acid 2-((1-butylpentyl)amino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C18H30N2O2
SMILES
CCCCC(CCCC)NCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C18H30N2O2/c1-3-5-7-17(8-6-4-2)20-13-14-22-18(21)15-9-11-16(19)12-10-15/h9-12,17,20H,3-8,13-14,19H2,1-2H3
InChIKey
WZVWBBQEQHQXSP-UHFFFAOYSA-N
Compound name
2-(nonan-5-ylamino)ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.23802 179.5
[M+Na]+ 329.21996 181.9
[M-H]- 305.22346 181.2
[M+NH4]+ 324.26456 193.5
[M+K]+ 345.19390 178.9
[M+H-H2O]+ 289.22800 171.3
[M+HCOO]- 351.22894 201.1
[M+CH3COO]- 365.24459 213.1
[M+Na-2H]- 327.20541 179.2
[M]+ 306.23019 181.3
[M]- 306.23129 181.3
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.