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]+ 341.19718 181.4
[M+Na]+ 363.17912 187.0
[M-H]- 339.18262 186.3
[M+NH4]+ 358.22372 190.2
[M+K]+ 379.15306 179.9
[M+H-H2O]+ 323.18716 170.5
[M+HCOO]- 385.18810 200.5
[M+CH3COO]- 399.20375 213.8
[M+Na-2H]- 361.16457 184.2
[M]+ 340.18935 176.6
[M]- 340.19045 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.