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]+ 264.134256 160.5
[M+Na]+ 286.116198 166.0
[M-H]- 262.119704 162.8
[M+NH4]+ 281.160803 173.2
[M+K]+ 302.090138 163.1
[M+H-H2O]+ 246.124240 151.4
[M+HCOO]- 308.125181 179.0
[M+CH3COO]- 322.140831 194.1
[M+Na-2H]- 284.101646 164.6
[M]+ 263.12643142 158.3
[M]- 263.12752858 158.3
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