CID 367025

Nsc636352

Structural Information

Molecular Formula
C14H10N4O4
SMILES
CC1(C(C(=O)NC(=O)C1C#N)C#N)C2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H10N4O4/c1-14(8-3-2-4-9(5-8)18(21)22)10(6-15)12(19)17-13(20)11(14)7-16/h2-5,10-11H,1H3,(H,17,19,20)
InChIKey
FLLLNWXCCUCTHA-UHFFFAOYSA-N
Compound name
4-methyl-4-(3-nitrophenyl)-2,6-dioxopiperidine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.0702 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.07748 178.8
[M+Na]+ 321.05942 188.1
[M-H]- 297.06292 181.7
[M+NH4]+ 316.10402 187.8
[M+K]+ 337.03336 179.8
[M+H-H2O]+ 281.06746 166.0
[M+HCOO]- 343.06840 188.0
[M+CH3COO]- 357.08405 222.7
[M+Na-2H]- 319.04487 179.2
[M]+ 298.06965 167.4
[M]- 298.07075 167.4
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.