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]+ 379.222756 191.3
[M+Na]+ 401.204698 191.9
[M-H]- 377.208204 195.7
[M+NH4]+ 396.249303 199.2
[M+K]+ 417.178638 189.5
[M+H-H2O]+ 361.212740 181.1
[M+HCOO]- 423.213681 198.8
[M+CH3COO]- 437.229331 219.6
[M+Na-2H]- 399.190146 184.4
[M]+ 378.21493142 183.1
[M]- 378.21602858 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.