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

0
Patents

291.12192 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.12920 165.8
[M+Na]+ 314.11114 172.5
[M-H]- 290.11464 167.2
[M+NH4]+ 309.15574 178.7
[M+K]+ 330.08508 168.7
[M+H-H2O]+ 274.11918 158.1
[M+HCOO]- 336.12012 181.5
[M+CH3COO]- 350.13577 200.1
[M+Na-2H]- 312.09659 168.0
[M]+ 291.12137 162.2
[M]- 291.12247 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.