CID 207447

2,4(1h,3h)-pyrimidinedione, 5,6-dihydro-3-allyl-1-(3,4-dimethylbenzyloxy)-

Structural Information

Molecular Formula
C16H20N2O3
SMILES
CC1=C(C=C(C=C1)CON2CCC(=O)N(C2=O)CC=C)C
InChI
InChI=1S/C16H20N2O3/c1-4-8-17-15(19)7-9-18(16(17)20)21-11-14-6-5-12(2)13(3)10-14/h4-6,10H,1,7-9,11H2,2-3H3
InChIKey
ZHYVAKVKMIHJDD-UHFFFAOYSA-N
Compound name
1-[(3,4-dimethylphenyl)methoxy]-3-prop-2-enyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.1474 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.154676 167.5
[M+Na]+ 311.136618 175.4
[M-H]- 287.140124 171.3
[M+NH4]+ 306.181223 180.8
[M+K]+ 327.110558 171.3
[M+H-H2O]+ 271.144660 158.6
[M+HCOO]- 333.145601 185.3
[M+CH3COO]- 347.161251 204.1
[M+Na-2H]- 309.122066 168.0
[M]+ 288.14685142 168.2
[M]- 288.14794858 168.2
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.