CID 335084

21865-87-2

Structural Information

Molecular Formula
C16H12N2O2
SMILES
C1C(N1N2C(=O)C3=CC=CC=C3C2=O)C4=CC=CC=C4
InChI
InChI=1S/C16H12N2O2/c19-15-12-8-4-5-9-13(12)16(20)18(15)17-10-14(17)11-6-2-1-3-7-11/h1-9,14H,10H2
InChIKey
CXEFVBCKNMVPHB-UHFFFAOYSA-N
Compound name
2-(2-phenylaziridin-1-yl)isoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

264.08987 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.09715 164.1
[M+Na]+ 287.07909 175.9
[M-H]- 263.08259 173.0
[M+NH4]+ 282.12369 176.0
[M+K]+ 303.05303 169.5
[M+H-H2O]+ 247.08713 155.6
[M+HCOO]- 309.08807 185.2
[M+CH3COO]- 323.10372 176.1
[M+Na-2H]- 285.06454 167.0
[M]+ 264.08932 166.6
[M]- 264.09042 166.6
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.