CID 494887

Nsc634549

Structural Information

Molecular Formula
C25H21NO3
SMILES
CC(=O)C1(C(N1C(=O)C2=CC=CC=C2)(C)C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C25H21NO3/c1-18(27)25(21-16-10-5-11-17-21)24(2,22(28)19-12-6-3-7-13-19)26(25)23(29)20-14-8-4-9-15-20/h3-17H,1-2H3
InChIKey
VLXVKEBXCMSSFW-UHFFFAOYSA-N
Compound name
1-(1,3-dibenzoyl-3-methyl-2-phenylaziridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.15213 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.15941 191.7
[M+Na]+ 406.14135 199.6
[M-H]- 382.14485 203.2
[M+NH4]+ 401.18595 200.1
[M+K]+ 422.11529 196.2
[M+H-H2O]+ 366.14939 182.6
[M+HCOO]- 428.15033 210.7
[M+CH3COO]- 442.16598 220.7
[M+Na-2H]- 404.12680 193.9
[M]+ 383.15158 195.1
[M]- 383.15268 195.1
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.