CID 120165

66-57-9

Structural Information

Molecular Formula
C15H12N4O7
SMILES
C1=CC=C(C(=C1)C(C2C(=O)NC(=O)NC2=O)C3C(=O)NC(=O)NC3=O)O
InChI
InChI=1S/C15H12N4O7/c20-6-4-2-1-3-5(6)7(8-10(21)16-14(25)17-11(8)22)9-12(23)18-15(26)19-13(9)24/h1-4,7-9,20H,(H2,16,17,21,22,25)(H2,18,19,23,24,26)
InChIKey
QNEQYVQWXBTOLG-UHFFFAOYSA-N
Compound name
5-[(2-hydroxyphenyl)-(2,4,6-trioxo-1,3-diazinan-5-yl)methyl]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.0706 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.07788 183.6
[M+Na]+ 383.05982 189.3
[M-H]- 359.06332 181.5
[M+NH4]+ 378.10442 186.4
[M+K]+ 399.03376 182.6
[M+H-H2O]+ 343.06786 174.1
[M+HCOO]- 405.06880 188.5
[M+CH3COO]- 419.08445 205.8
[M+Na-2H]- 381.04527 179.8
[M]+ 360.07005 173.2
[M]- 360.07115 173.2
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.