CID 154878805

2490430-37-8

Structural Information

Molecular Formula
C13H16N2O4
SMILES
COC1=CC(=C(C=C1)CN2C(=O)CCNC2=O)OC
InChI
InChI=1S/C13H16N2O4/c1-18-10-4-3-9(11(7-10)19-2)8-15-12(16)5-6-14-13(15)17/h3-4,7H,5-6,8H2,1-2H3,(H,14,17)
InChIKey
IFYQFWREGGSCCG-UHFFFAOYSA-N
Compound name
3-[(2,4-dimethoxyphenyl)methyl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

264.111 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.118276 159.2
[M+Na]+ 287.100218 166.6
[M-H]- 263.103724 161.7
[M+NH4]+ 282.144823 172.4
[M+K]+ 303.074158 163.5
[M+H-H2O]+ 247.108260 150.6
[M+HCOO]- 309.109201 176.5
[M+CH3COO]- 323.124851 194.4
[M+Na-2H]- 285.085666 161.6
[M]+ 264.11045142 158.7
[M]- 264.11154858 158.7
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