CID 50709

Benzoic acid, p-amino-, 1-methyl-2-((4-methylcyclohexyl)amino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC1CCC(CC1)NCC(C)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H26N2O2/c1-12-3-9-16(10-4-12)19-11-13(2)21-17(20)14-5-7-15(18)8-6-14/h5-8,12-13,16,19H,3-4,9-11,18H2,1-2H3
InChIKey
ZXMQXYDIZIYSAX-UHFFFAOYSA-N
Compound name
1-[(4-methylcyclohexyl)amino]propan-2-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 171.9
[M+Na]+ 313.18865 180.7
[M+NH4]+ 308.23325 179.0
[M+K]+ 329.16259 174.9
[M-H]- 289.19215 176.0
[M+Na-2H]- 311.17410 176.8
[M]+ 290.19888 174.0
[M]- 290.19998 174.0
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.