CID 215331

Phthalimide, n-((cyanonitroamino)methyl)-

Structural Information

Molecular Formula
C10H6N4O4
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CN(C#N)[N+](=O)[O-]
InChI
InChI=1S/C10H6N4O4/c11-5-12(14(17)18)6-13-9(15)7-3-1-2-4-8(7)10(13)16/h1-4H,6H2
InChIKey
XDQJCECEVQFXDQ-UHFFFAOYSA-N
Compound name
(1,3-dioxoisoindol-2-yl)methyl-nitrocyanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.03891 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.04619 152.8
[M+Na]+ 269.02813 163.1
[M+NH4]+ 264.07273 155.9
[M+K]+ 285.00207 159.4
[M-H]- 245.03163 147.3
[M+Na-2H]- 267.01358 153.7
[M]+ 246.03836 151.5
[M]- 246.03946 151.5
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.