CID 3063962

101889-38-7

Structural Information

Molecular Formula
C18H27N3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C)C2CCCCC2)N(CC=C)CC=C
InChI
InChI=1S/C18H27N3O2/c1-5-12-20(13-6-2)16-14(3)19(4)18(23)21(17(16)22)15-10-8-7-9-11-15/h5-6,15H,1-2,7-13H2,3-4H3
InChIKey
VKCBSYASCAEHOF-UHFFFAOYSA-N
Compound name
5-[bis(prop-2-enyl)amino]-3-cyclohexyl-1,6-dimethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.21033 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.217606 176.5
[M+Na]+ 340.199548 183.3
[M-H]- 316.203054 181.4
[M+NH4]+ 335.244153 189.0
[M+K]+ 356.173488 178.7
[M+H-H2O]+ 300.207590 167.0
[M+HCOO]- 362.208531 195.2
[M+CH3COO]- 376.224181 215.8
[M+Na-2H]- 338.184996 175.7
[M]+ 317.20978142 176.3
[M]- 317.21087858 176.3
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.