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

literature stripe

Patent stripe

patents stripe