CID 296700

6372-57-2

Structural Information

Molecular Formula
C22H19NO
SMILES
C1=CC=C(C=C1)CN2C(C2C(=O)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H19NO/c24-22(19-14-8-3-9-15-19)21-20(18-12-6-2-7-13-18)23(21)16-17-10-4-1-5-11-17/h1-15,20-21H,16H2
InChIKey
UBYJCOQOPFVSFQ-UHFFFAOYSA-N
Compound name
(1-benzyl-3-phenylaziridin-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

313.14667 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.15395 172.9
[M+Na]+ 336.13589 180.8
[M-H]- 312.13939 184.0
[M+NH4]+ 331.18049 180.6
[M+K]+ 352.10983 174.8
[M+H-H2O]+ 296.14393 162.7
[M+HCOO]- 358.14487 194.8
[M+CH3COO]- 372.16052 183.4
[M+Na-2H]- 334.12134 176.9
[M]+ 313.14612 174.0
[M]- 313.14722 174.0
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.