CID 50711

P-aminobenzoic acid 1-(4-heptylamino)-2-propyl ester

Structural Information

Molecular Formula
C17H28N2O2
SMILES
CCCC(CCC)NCC(C)OC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C17H28N2O2/c1-4-6-16(7-5-2)19-12-13(3)21-17(20)14-8-10-15(18)11-9-14/h8-11,13,16,19H,4-7,12,18H2,1-3H3
InChIKey
MCSFKWJOXYUHRW-UHFFFAOYSA-N
Compound name
1-(heptan-4-ylamino)propan-2-yl 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 174.6
[M+Na]+ 315.20432 182.4
[M+NH4]+ 310.24892 180.4
[M+K]+ 331.17826 177.0
[M-H]- 291.20782 176.1
[M+Na-2H]- 313.18977 177.7
[M]+ 292.21455 175.7
[M]- 292.21565 175.7
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.