CID 209250

19564-18-2

Structural Information

Molecular Formula
C19H29N3O2
SMILES
C1CCC(CC1)OC(=O)N2CCN(CC2)CCNC3=CC=CC=C3
InChI
InChI=1S/C19H29N3O2/c23-19(24-18-9-5-2-6-10-18)22-15-13-21(14-16-22)12-11-20-17-7-3-1-4-8-17/h1,3-4,7-8,18,20H,2,5-6,9-16H2
InChIKey
LEQWPZFMHJNSMM-UHFFFAOYSA-N
Compound name
cyclohexyl 4-(2-anilinoethyl)piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.22598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.23326 183.7
[M+Na]+ 354.21520 193.4
[M+NH4]+ 349.25980 190.6
[M+K]+ 370.18914 186.1
[M-H]- 330.21870 188.4
[M+Na-2H]- 352.20065 190.0
[M]+ 331.22543 186.0
[M]- 331.22653 186.0
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.