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]+ 291.206706 171.2
[M+Na]+ 313.188648 172.2
[M-H]- 289.192154 175.5
[M+NH4]+ 308.233253 185.0
[M+K]+ 329.162588 169.4
[M+H-H2O]+ 273.196690 162.7
[M+HCOO]- 335.197631 190.2
[M+CH3COO]- 349.213281 206.9
[M+Na-2H]- 311.174096 171.2
[M]+ 290.19888142 165.7
[M]- 290.19997858 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.