CID 394683

Nsc698286

Structural Information

Molecular Formula
C21H16Cl2N2O4
SMILES
C1C(C2(C(CC1=O)C3=CC=C(C=C3)Cl)C(=O)NC(=O)NC2=O)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H16Cl2N2O4/c22-13-5-1-11(2-6-13)16-9-15(26)10-17(12-3-7-14(23)8-4-12)21(16)18(27)24-20(29)25-19(21)28/h1-8,16-17H,9-10H2,(H2,24,25,27,28,29)
InChIKey
DWHYSHPLGNQIKP-UHFFFAOYSA-N
Compound name
7,11-bis(4-chlorophenyl)-2,4-diazaspiro[5.5]undecane-1,3,5,9-tetrone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.0487 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.05598 197.2
[M+Na]+ 453.03792 206.0
[M-H]- 429.04142 202.7
[M+NH4]+ 448.08252 206.2
[M+K]+ 469.01186 197.2
[M+H-H2O]+ 413.04596 187.7
[M+HCOO]- 475.04690 199.3
[M+CH3COO]- 489.06255 204.4
[M+Na-2H]- 451.02337 195.3
[M]+ 430.04815 192.9
[M]- 430.04925 192.9
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.