CID 121210

1908-99-2

Structural Information

Molecular Formula
C14H17N3O4
SMILES
CN(C)CCC1(C(=O)NC(=O)NC1=O)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H17N3O4/c1-17(2)7-6-14(9-4-3-5-10(18)8-9)11(19)15-13(21)16-12(14)20/h3-5,8,18H,6-7H2,1-2H3,(H2,15,16,19,20,21)
InChIKey
RWEWYDIHNKITQK-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)ethyl]-5-(3-hydroxyphenyl)-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

291.12192 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.129196 165.8
[M+Na]+ 314.111138 172.5
[M-H]- 290.114644 167.2
[M+NH4]+ 309.155743 178.7
[M+K]+ 330.085078 168.7
[M+H-H2O]+ 274.119180 158.1
[M+HCOO]- 336.120121 181.5
[M+CH3COO]- 350.135771 200.1
[M+Na-2H]- 312.096586 168.0
[M]+ 291.12137142 162.2
[M]- 291.12246858 162.2
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.