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

24
Patents

264.111 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11828 159.2
[M+Na]+ 287.10022 166.6
[M-H]- 263.10372 161.7
[M+NH4]+ 282.14482 172.4
[M+K]+ 303.07416 163.5
[M+H-H2O]+ 247.10826 150.6
[M+HCOO]- 309.10920 176.5
[M+CH3COO]- 323.12485 194.4
[M+Na-2H]- 285.08567 161.6
[M]+ 264.11045 158.7
[M]- 264.11155 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