CID 58022

100811-82-3

Structural Information

Molecular Formula
C17H26N2O2
SMILES
CC(CCNC1CCCCC1)OC(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C17H26N2O2/c1-13(11-12-19-16-5-3-2-4-6-16)21-17(20)14-7-9-15(18)10-8-14/h7-10,13,16,19H,2-6,11-12,18H2,1H3
InChIKey
PXSVOEGAOIDENJ-UHFFFAOYSA-N
Compound name
4-(cyclohexylamino)butan-2-yl 4-aminobenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.19943 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.20671 171.2
[M+Na]+ 313.18865 172.2
[M-H]- 289.19215 175.5
[M+NH4]+ 308.23325 185.0
[M+K]+ 329.16259 169.4
[M+H-H2O]+ 273.19669 162.7
[M+HCOO]- 335.19763 190.2
[M+CH3COO]- 349.21328 206.9
[M+Na-2H]- 311.17410 171.2
[M]+ 290.19888 165.7
[M]- 290.19998 165.7
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.