CID 54213

Brn 5762038

Structural Information

Molecular Formula
C13H17N3O3
SMILES
COC1=CC=CC(=C1)C2CNC(=NC2)NC(=O)OC
InChI
InChI=1S/C13H17N3O3/c1-18-11-5-3-4-9(6-11)10-7-14-12(15-8-10)16-13(17)19-2/h3-6,10H,7-8H2,1-2H3,(H2,14,15,16,17)
InChIKey
WZNAMFYCAMDMSW-UHFFFAOYSA-N
Compound name
methyl N-[5-(3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

263.12698 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.13426 160.8
[M+Na]+ 286.11620 171.8
[M+NH4]+ 281.16080 166.8
[M+K]+ 302.09014 166.6
[M-H]- 262.11970 162.7
[M+Na-2H]- 284.10165 166.8
[M]+ 263.12643 162.5
[M]- 263.12753 162.5
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

patents stripe