CID 212379

24269-23-6

Structural Information

Molecular Formula
C21H41N3O2
SMILES
CC(C)CN(CCN1CCN(CC1)C(=O)OC2CCCCC2)CC(C)C
InChI
InChI=1S/C21H41N3O2/c1-18(2)16-23(17-19(3)4)11-10-22-12-14-24(15-13-22)21(25)26-20-8-6-5-7-9-20/h18-20H,5-17H2,1-4H3
InChIKey
ZRIMBTJHGIFNOB-UHFFFAOYSA-N
Compound name
cyclohexyl 4-[2-[bis(2-methylpropyl)amino]ethyl]piperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.3199 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.32718 197.3
[M+Na]+ 390.30912 194.4
[M-H]- 366.31262 199.0
[M+NH4]+ 385.35372 206.3
[M+K]+ 406.28306 193.3
[M+H-H2O]+ 350.31716 186.7
[M+HCOO]- 412.31810 207.1
[M+CH3COO]- 426.33375 224.4
[M+Na-2H]- 388.29457 191.4
[M]+ 367.31935 192.4
[M]- 367.32045 192.4
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.