CID 12944

746-52-1

Structural Information

Molecular Formula
C21H34N2O3
SMILES
CCCC(C)C1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3
InChI
InChI=1S/C21H34N2O3/c1-3-10-15(2)18-19(24)22(16-11-6-4-7-12-16)21(26)23(20(18)25)17-13-8-5-9-14-17/h15-18H,3-14H2,1-2H3
InChIKey
CAVKMJKZGHQJLC-UHFFFAOYSA-N
Compound name
1,3-dicyclohexyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.25696 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.26424 192.9
[M+Na]+ 385.24618 193.3
[M-H]- 361.24968 197.0
[M+NH4]+ 380.29078 201.8
[M+K]+ 401.22012 189.2
[M+H-H2O]+ 345.25422 182.3
[M+HCOO]- 407.25516 200.4
[M+CH3COO]- 421.27081 218.4
[M+Na-2H]- 383.23163 186.0
[M]+ 362.25641 183.3
[M]- 362.25751 183.3
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.