CID 54172

P-aminobenzoic acid 2-(2-(dipropylamino)ethoxy)ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H28N2O3
SMILES
CCCN(CCC)CCOCCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C17H28N2O3/c1-3-9-19(10-4-2)11-12-21-13-14-22-17(20)15-5-7-16(18)8-6-15/h5-8H,3-4,9-14,18H2,1-2H3
InChIKey
LCMKGBKXNJZAJI-UHFFFAOYSA-N
Compound name
2-[2-(dipropylamino)ethoxy]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.21 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.21728 177.7
[M+Na]+ 331.19922 180.8
[M-H]- 307.20272 180.9
[M+NH4]+ 326.24382 192.2
[M+K]+ 347.17316 179.5
[M+H-H2O]+ 291.20726 169.1
[M+HCOO]- 353.20820 201.3
[M+CH3COO]- 367.22385 214.6
[M+Na-2H]- 329.18467 178.4
[M]+ 308.20945 182.4
[M]- 308.21055 182.4
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.