CID 25001715

3-phenylaziridine-2-carboxaldehyde dimer

Structural Information

Molecular Formula
C18H18N2O2
SMILES
C1=CC=C(C=C1)C2C(N2)C3N4C(C4C5=CC=CC=C5)C(O3)O
InChI
InChI=1S/C18H18N2O2/c21-18-16-15(12-9-5-2-6-10-12)20(16)17(22-18)14-13(19-14)11-7-3-1-4-8-11/h1-10,13-19,21H
InChIKey
GLGAFLIVZSLLEI-UHFFFAOYSA-N
Compound name
6-phenyl-2-(3-phenylaziridin-2-yl)-3-oxa-1-azabicyclo[3.1.0]hexan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

294.13684 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.14412 173.2
[M+Na]+ 317.12606 181.8
[M-H]- 293.12956 181.7
[M+NH4]+ 312.17066 175.8
[M+K]+ 333.10000 177.0
[M+H-H2O]+ 277.13410 166.3
[M+HCOO]- 339.13504 187.6
[M+CH3COO]- 353.15069 181.3
[M+Na-2H]- 315.11151 173.8
[M]+ 294.13629 175.3
[M]- 294.13739 175.3
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

patents stripe