CID 2363702

6-amino-1-benzyl-5-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-1,2,3,4-tetrahydropyrimidine-2,4-dione

Structural Information

Molecular Formula
C19H24N4O2
SMILES
C1CCC(=CC1)CCNC2=C(N(C(=O)NC2=O)CC3=CC=CC=C3)N
InChI
InChI=1S/C19H24N4O2/c20-17-16(21-12-11-14-7-3-1-4-8-14)18(24)22-19(25)23(17)13-15-9-5-2-6-10-15/h2,5-7,9-10,21H,1,3-4,8,11-13,20H2,(H,22,24,25)
InChIKey
OCXITSQBTTTWKI-UHFFFAOYSA-N
Compound name
6-amino-1-benzyl-5-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

340.1899 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.197176 181.4
[M+Na]+ 363.179118 187.0
[M-H]- 339.182624 186.3
[M+NH4]+ 358.223723 190.2
[M+K]+ 379.153058 179.9
[M+H-H2O]+ 323.187160 170.5
[M+HCOO]- 385.188101 200.5
[M+CH3COO]- 399.203751 213.8
[M+Na-2H]- 361.164566 184.2
[M]+ 340.18935142 176.6
[M]- 340.19044858 176.6
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.