CID 27082

P-aminobenzoic acid, 2-(di-2-butylamino)ethyl ester hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.2151 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.222376 175.9
[M+Na]+ 315.204318 178.7
[M-H]- 291.207824 179.4
[M+NH4]+ 310.248923 191.1
[M+K]+ 331.178258 177.9
[M+H-H2O]+ 275.212360 168.0
[M+HCOO]- 337.213301 197.3
[M+CH3COO]- 351.228951 214.4
[M+Na-2H]- 313.189766 174.1
[M]+ 292.21455142 178.0
[M]- 292.21564858 178.0
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.