CID 38530

Brn 0691797

Structural Information

Molecular Formula
C18H28N2O4
SMILES
CCOC(=O)C(CC=C)(CC=C)C(=O)NC(=O)NC1CCCCC1
InChI
InChI=1S/C18H28N2O4/c1-4-12-18(13-5-2,16(22)24-6-3)15(21)20-17(23)19-14-10-8-7-9-11-14/h4-5,14H,1-2,6-13H2,3H3,(H2,19,20,21,23)
InChIKey
JYRPGGWITVAMOQ-UHFFFAOYSA-N
Compound name
ethyl 2-(cyclohexylcarbamoylcarbamoyl)-2-prop-2-enylpent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.2049 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.21218 182.4
[M+Na]+ 359.19412 182.3
[M-H]- 335.19762 183.6
[M+NH4]+ 354.23872 194.7
[M+K]+ 375.16806 180.1
[M+H-H2O]+ 319.20216 175.2
[M+HCOO]- 381.20310 199.0
[M+CH3COO]- 395.21875 213.8
[M+Na-2H]- 357.17957 181.3
[M]+ 336.20435 179.4
[M]- 336.20545 179.4
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.