CID 27086

P-aminobenzoic acid 2-(diisopentylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C19H32N2O2
SMILES
CC(C)CCN(CCC(C)C)CCOC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C19H32N2O2/c1-15(2)9-11-21(12-10-16(3)4)13-14-23-19(22)17-5-7-18(20)8-6-17/h5-8,15-16H,9-14,20H2,1-4H3
InChIKey
KICZJAOCQBYSFN-UHFFFAOYSA-N
Compound name
2-[bis(3-methylbutyl)amino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.24637 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.25365 185.2
[M+Na]+ 343.23559 187.1
[M-H]- 319.23909 188.3
[M+NH4]+ 338.28019 199.1
[M+K]+ 359.20953 185.8
[M+H-H2O]+ 303.24363 176.8
[M+HCOO]- 365.24457 205.9
[M+CH3COO]- 379.26022 220.3
[M+Na-2H]- 341.22104 182.2
[M]+ 320.24582 188.0
[M]- 320.24692 188.0
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.