CID 50717

Benzoic acid, p-amino-, 2-((3,3,5-trimethylcyclohexyl)amino)ethyl ester, hydrochloride

Structural Information

Molecular Formula
C18H28N2O2
SMILES
CC1CC(CC(C1)(C)C)NCCOC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C18H28N2O2/c1-13-10-16(12-18(2,3)11-13)20-8-9-22-17(21)14-4-6-15(19)7-5-14/h4-7,13,16,20H,8-12,19H2,1-3H3
InChIKey
GBTMQEMARXAIJP-UHFFFAOYSA-N
Compound name
2-[(3,3,5-trimethylcyclohexyl)amino]ethyl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.2151 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.22238 175.5
[M+Na]+ 327.20432 184.9
[M+NH4]+ 322.24892 184.0
[M+K]+ 343.17826 176.6
[M-H]- 303.20782 179.8
[M+Na-2H]- 325.18977 181.9
[M]+ 304.21455 177.9
[M]- 304.21565 177.9
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.