CID 315724

Nsc241473

Structural Information

Molecular Formula
C15H16N2O4
SMILES
C1CC2C=CC1C3C2C(=O)N(C3=O)C4CCC(=O)NC4=O
InChI
InChI=1S/C15H16N2O4/c18-10-6-5-9(13(19)16-10)17-14(20)11-7-1-2-8(4-3-7)12(11)15(17)21/h1-2,7-9,11-12H,3-6H2,(H,16,18,19)
InChIKey
URGWTRNRIHKEGJ-UHFFFAOYSA-N
Compound name
4-(2,6-dioxopiperidin-3-yl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.111 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 160.6
[M+Na]+ 311.10022 165.5
[M-H]- 287.10372 158.9
[M+NH4]+ 306.14482 178.9
[M+K]+ 327.07416 160.9
[M+H-H2O]+ 271.10826 153.7
[M+HCOO]- 333.10920 166.3
[M+CH3COO]- 347.12485 168.9
[M+Na-2H]- 309.08567 163.5
[M]+ 288.11045 158.0
[M]- 288.11155 158.0
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.