CID 3076053

129750-90-9

Structural Information

Molecular Formula
C20H30N2O5
SMILES
CC(C1C(=O)N(C(=O)N(C1=O)C2CCCCC2)C3CCCCC3)C(=O)OC
InChI
InChI=1S/C20H30N2O5/c1-13(19(25)27-2)16-17(23)21(14-9-5-3-6-10-14)20(26)22(18(16)24)15-11-7-4-8-12-15/h13-16H,3-12H2,1-2H3
InChIKey
QDYMUXMHMVGDEV-UHFFFAOYSA-N
Compound name
methyl 2-(1,3-dicyclohexyl-2,4,6-trioxo-1,3-diazinan-5-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.21548 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.22276 191.3
[M+Na]+ 401.20470 191.9
[M-H]- 377.20820 195.7
[M+NH4]+ 396.24930 199.2
[M+K]+ 417.17864 189.5
[M+H-H2O]+ 361.21274 181.1
[M+HCOO]- 423.21368 198.8
[M+CH3COO]- 437.22933 219.6
[M+Na-2H]- 399.19015 184.4
[M]+ 378.21493 183.1
[M]- 378.21603 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.