CID 50705

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

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CCCC(CCC)NCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C16H26N2O2/c1-3-5-15(6-4-2)18-11-12-20-16(19)13-7-9-14(17)10-8-13/h7-10,15,18H,3-6,11-12,17H2,1-2H3
InChIKey
WKUQRSYGQPQAAY-UHFFFAOYSA-N
Compound name
2-(heptan-4-ylamino)ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20671 170.0
[M+Na]+ 301.18865 178.4
[M+NH4]+ 296.23325 176.1
[M+K]+ 317.16259 172.4
[M-H]- 277.19215 171.7
[M+Na-2H]- 299.17410 173.7
[M]+ 278.19888 171.3
[M]- 278.19998 171.3
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.