CID 370540

Nsc643767

Structural Information

Molecular Formula
C13H12N2O4
SMILES
COC1=CC=CC(=C1)C2CC23C(=O)NC(=O)NC3=O
InChI
InChI=1S/C13H12N2O4/c1-19-8-4-2-3-7(5-8)9-6-13(9)10(16)14-12(18)15-11(13)17/h2-5,9H,6H2,1H3,(H2,14,15,16,17,18)
InChIKey
QCWQPNRCUKKSLQ-UHFFFAOYSA-N
Compound name
2-(3-methoxyphenyl)-5,7-diazaspiro[2.5]octane-4,6,8-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0797 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 164.1
[M+Na]+ 283.06892 174.8
[M-H]- 259.07242 168.7
[M+NH4]+ 278.11352 174.5
[M+K]+ 299.04286 169.3
[M+H-H2O]+ 243.07696 157.0
[M+HCOO]- 305.07790 180.2
[M+CH3COO]- 319.09355 192.8
[M+Na-2H]- 281.05437 167.5
[M]+ 260.07915 163.7
[M]- 260.08025 163.7
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

No patent data available for this compound.