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]+ 312.170676 172.9
[M+Na]+ 334.152618 182.7
[M-H]- 310.156124 179.0
[M+NH4]+ 329.197223 185.8
[M+K]+ 350.126558 177.5
[M+H-H2O]+ 294.160660 163.3
[M+HCOO]- 356.161601 195.9
[M+CH3COO]- 370.177251 214.6
[M+Na-2H]- 332.138066 175.0
[M]+ 311.16285142 177.0
[M]- 311.16394858 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.