CID 50824

Benzoic acid, p-amino-, 2-(cyclohexylamino)-1,1-dimethylethyl ester, hydrochloride

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(C)(CNC1CCCCC1)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H26N2O2/c1-17(2,12-19-15-6-4-3-5-7-15)21-16(20)13-8-10-14(18)11-9-13/h8-11,15,19H,3-7,12,18H2,1-2H3
InChIKey
SYWTXOKNKKVZSQ-UHFFFAOYSA-N
Compound name
[1-(cyclohexylamino)-2-methylpropan-2-yl] 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 170.2
[M+Na]+ 313.18865 172.0
[M-H]- 289.19215 174.8
[M+NH4]+ 308.23325 184.3
[M+K]+ 329.16259 169.2
[M+H-H2O]+ 273.19669 162.3
[M+HCOO]- 335.19763 188.7
[M+CH3COO]- 349.21328 206.4
[M+Na-2H]- 311.17410 172.4
[M]+ 290.19888 165.0
[M]- 290.19998 165.0
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.