CID 296695

804-35-3

Structural Information

Molecular Formula
C23H19NO2
SMILES
C1=CC=C(C=C1)CN2C(C2C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H19NO2/c25-22(18-12-6-2-7-13-18)20-21(23(26)19-14-8-3-9-15-19)24(20)16-17-10-4-1-5-11-17/h1-15,20-21H,16H2
InChIKey
LSWFEKFANVJTSQ-UHFFFAOYSA-N
Compound name
(3-benzoyl-1-benzylaziridin-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

341.14157 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.14885 179.4
[M+Na]+ 364.13079 186.6
[M-H]- 340.13429 190.4
[M+NH4]+ 359.17539 185.8
[M+K]+ 380.10473 180.8
[M+H-H2O]+ 324.13883 169.1
[M+HCOO]- 386.13977 200.3
[M+CH3COO]- 400.15542 189.2
[M+Na-2H]- 362.11624 181.8
[M]+ 341.14102 181.0
[M]- 341.14212 181.0
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