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]+ 295.144116 173.2
[M+Na]+ 317.126058 181.8
[M-H]- 293.129564 181.7
[M+NH4]+ 312.170663 175.8
[M+K]+ 333.099998 177.0
[M+H-H2O]+ 277.134100 166.3
[M+HCOO]- 339.135041 187.6
[M+CH3COO]- 353.150691 181.3
[M+Na-2H]- 315.111506 173.8
[M]+ 294.13629142 175.3
[M]- 294.13738858 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