CID 165362812

Dtxsid501021490

Structural Information

Molecular Formula
C36H70N2O4
SMILES
CC(C)CCCCCCCCCOC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)OCCCCCCCCCC(C)C)C
InChI
InChI=1S/C36H70N2O4/c1-30(2)22-18-14-10-8-12-16-20-24-41-33(39)37-29-36(7)27-32(26-35(5,6)28-36)38-34(40)42-25-21-17-13-9-11-15-19-23-31(3)4/h30-32H,8-29H2,1-7H3,(H,37,39)(H,38,40)
InChIKey
DXKNETNKUHINMM-UHFFFAOYSA-N
Compound name
10-methylundecyl N-[[1,3,3-trimethyl-5-(10-methylundecoxycarbonylamino)cyclohexyl]methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

594.53357 Da
Monoisotopic Mass

13.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 595.54085 264.6
[M+Na]+ 617.52279 274.7
[M-H]- 593.52629 260.0
[M+NH4]+ 612.56739 269.4
[M+K]+ 633.49673 273.2
[M+H-H2O]+ 577.53083 250.6
[M+HCOO]- 639.53177 266.8
[M+CH3COO]- 653.54742 270.1
[M+Na-2H]- 615.50824 247.9
[M]+ 594.53302 260.2
[M]- 594.53412 260.2
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.