CID 656257

332384-52-8

Structural Information

Molecular Formula
C16H16N4O4
SMILES
CC1=CC=CC=C1OCC2CN3C4=C(N=C3O2)N(C(=O)NC4=O)C
InChI
InChI=1S/C16H16N4O4/c1-9-5-3-4-6-11(9)23-8-10-7-20-12-13(17-16(20)24-10)19(2)15(22)18-14(12)21/h3-6,10H,7-8H2,1-2H3,(H,18,21,22)
InChIKey
XNUJUQWVGYUOKV-UHFFFAOYSA-N
Compound name
4-methyl-7-[(2-methylphenoxy)methyl]-7,8-dihydropurino[8,7-b][1,3]oxazole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

328.11716 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.124436 174.6
[M+Na]+ 351.106378 187.7
[M-H]- 327.109884 179.5
[M+NH4]+ 346.150983 187.4
[M+K]+ 367.080318 183.1
[M+H-H2O]+ 311.114420 166.2
[M+HCOO]- 373.115361 192.4
[M+CH3COO]- 387.131011 186.4
[M+Na-2H]- 349.091826 176.7
[M]+ 328.11661142 180.9
[M]- 328.11770858 180.9
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.