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 181.5
[M+Na]+ 354.21520 180.9
[M-H]- 330.21870 185.5
[M+NH4]+ 349.25980 190.7
[M+K]+ 370.18914 177.0
[M+H-H2O]+ 314.22324 169.8
[M+HCOO]- 376.22418 194.7
[M+CH3COO]- 390.23983 209.3
[M+Na-2H]- 352.20065 182.0
[M]+ 331.22543 173.0
[M]- 331.22653 173.0
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.