CID 367416

Nsc637134

Structural Information

Molecular Formula
C17H23N3O5
SMILES
CCOC(=O)NC(=O)C1=CN(C(=O)N(C1=O)CC=C)C2CCCCC2
InChI
InChI=1S/C17H23N3O5/c1-3-10-19-15(22)13(14(21)18-16(23)25-4-2)11-20(17(19)24)12-8-6-5-7-9-12/h3,11-12H,1,4-10H2,2H3,(H,18,21,23)
InChIKey
BNLCKZWCWKQORR-UHFFFAOYSA-N
Compound name
ethyl N-(1-cyclohexyl-2,4-dioxo-3-prop-2-enylpyrimidine-5-carbonyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.16376 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.17104 179.8
[M+Na]+ 372.15298 185.3
[M-H]- 348.15648 183.3
[M+NH4]+ 367.19758 189.7
[M+K]+ 388.12692 182.1
[M+H-H2O]+ 332.16102 170.3
[M+HCOO]- 394.16196 197.1
[M+CH3COO]- 408.17761 214.0
[M+Na-2H]- 370.13843 179.1
[M]+ 349.16321 179.7
[M]- 349.16431 179.7
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.