CID 379526

Nsc664188

Structural Information

Molecular Formula
C19H34N4O5
SMILES
C1CCC(CC1)NC(=O)NCCOC(=O)OCCNC(=O)NC2CCCCC2
InChI
InChI=1S/C19H34N4O5/c24-17(22-15-7-3-1-4-8-15)20-11-13-27-19(26)28-14-12-21-18(25)23-16-9-5-2-6-10-16/h15-16H,1-14H2,(H2,20,22,24)(H2,21,23,25)
InChIKey
LCNYZDYSPPMNQH-UHFFFAOYSA-N
Compound name
bis[2-(cyclohexylcarbamoylamino)ethyl] carbonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.25293 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.26021 190.8
[M+Na]+ 421.24215 185.5
[M-H]- 397.24565 193.6
[M+NH4]+ 416.28675 199.0
[M+K]+ 437.21609 185.2
[M+H-H2O]+ 381.25019 180.9
[M+HCOO]- 443.25113 207.6
[M+CH3COO]- 457.26678 227.1
[M+Na-2H]- 419.22760 189.8
[M]+ 398.25238 183.1
[M]- 398.25348 183.1
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.