CID 271117

Cyclopenin

Structural Information

Molecular Formula
C17H14N2O3
SMILES
CN1C(=O)C2=CC=CC=C2NC(=O)C13C(O3)C4=CC=CC=C4
InChI
InChI=1S/C17H14N2O3/c1-19-15(20)12-9-5-6-10-13(12)18-16(21)17(19)14(22-17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,21)
InChIKey
APLKWZASYUZSBL-UHFFFAOYSA-N
Compound name
4-methyl-3'-phenylspiro[1H-1,4-benzodiazepine-3,2'-oxirane]-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

23
References

30
Patents

294.10043 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 171.8
[M+Na]+ 317.08965 186.1
[M+NH4]+ 312.13425 180.3
[M+K]+ 333.06359 180.1
[M-H]- 293.09315 182.6
[M+Na-2H]- 315.07510 181.0
[M]+ 294.09988 178.2
[M]- 294.10098 178.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe