CID 148970

62554-10-3

Structural Information

Molecular Formula
C13H16N2O3
SMILES
CC1CN(C(=O)NC1=O)CC2=CC=C(C=C2)OC
InChI
InChI=1S/C13H16N2O3/c1-9-7-15(13(17)14-12(9)16)8-10-3-5-11(18-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,16,17)
InChIKey
QASUMVLHEFKLNM-UHFFFAOYSA-N
Compound name
1-[(4-methoxyphenyl)methyl]-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.11609 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.5
[M+Na]+ 271.10531 164.2
[M-H]- 247.10881 159.1
[M+NH4]+ 266.14991 170.5
[M+K]+ 287.07925 160.4
[M+H-H2O]+ 231.11335 148.2
[M+HCOO]- 293.11429 173.7
[M+CH3COO]- 307.12994 192.2
[M+Na-2H]- 269.09076 158.8
[M]+ 248.11554 154.6
[M]- 248.11664 154.6
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

No patent data available for this compound.