CID 208430

32150-62-2

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CC1=C(C(=O)N(C(=O)N1C2=CC=CC=C2)C)N(CC=C)CC=C
InChI
InChI=1S/C18H21N3O2/c1-5-12-20(13-6-2)16-14(3)21(15-10-8-7-9-11-15)18(23)19(4)17(16)22/h5-11H,1-2,12-13H2,3-4H3
InChIKey
OXKMQABFDJFCKD-UHFFFAOYSA-N
Compound name
5-[bis(prop-2-enyl)amino]-3,6-dimethyl-1-phenylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

311.1634 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 172.9
[M+Na]+ 334.15262 182.7
[M-H]- 310.15612 179.0
[M+NH4]+ 329.19722 185.8
[M+K]+ 350.12656 177.5
[M+H-H2O]+ 294.16066 163.3
[M+HCOO]- 356.16160 195.9
[M+CH3COO]- 370.17725 214.6
[M+Na-2H]- 332.13807 175.0
[M]+ 311.16285 177.0
[M]- 311.16395 177.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.