CID 50765

Benzoic acid, p-amino-, 1,1-dimethyl-2-((1-methylhexyl)amino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C18H30N2O2
SMILES
CCCCCC(C)NCC(C)(C)OC(=O)C1=CC=C(C=C1)N
InChI
InChI=1S/C18H30N2O2/c1-5-6-7-8-14(2)20-13-18(3,4)22-17(21)15-9-11-16(19)12-10-15/h9-12,14,20H,5-8,13,19H2,1-4H3
InChIKey
GTZQWZMZTIBVGV-UHFFFAOYSA-N
Compound name
[1-(heptan-2-ylamino)-2-methylpropan-2-yl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.23074 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.238016 179.1
[M+Na]+ 329.219958 182.0
[M-H]- 305.223464 181.1
[M+NH4]+ 324.264563 193.2
[M+K]+ 345.193898 179.5
[M+H-H2O]+ 289.228000 171.7
[M+HCOO]- 351.228941 199.1
[M+CH3COO]- 365.244591 213.5
[M+Na-2H]- 327.205406 179.6
[M]+ 306.23019142 180.4
[M]- 306.23128858 180.4
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.