CID 2386139

568544-08-1

Structural Information

Molecular Formula
C14H18N4O3
SMILES
C1=CC=C(C=C1)CN2C(=C(C(=O)NC2=O)NCCCO)N
InChI
InChI=1S/C14H18N4O3/c15-12-11(16-7-4-8-19)13(20)17-14(21)18(12)9-10-5-2-1-3-6-10/h1-3,5-6,16,19H,4,7-9,15H2,(H,17,20,21)
InChIKey
LVWWXUCAQXTOPV-UHFFFAOYSA-N
Compound name
6-amino-1-benzyl-5-(3-hydroxypropylamino)pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.13788 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14516 166.7
[M+Na]+ 313.12710 178.2
[M+NH4]+ 308.17170 171.3
[M+K]+ 329.10104 172.9
[M-H]- 289.13060 168.5
[M+Na-2H]- 311.11255 172.4
[M]+ 290.13733 168.4
[M]- 290.13843 168.4
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.