CID 135415576

2h-1,2,4-oxadiazin-3(6h)-one, 5-[(diphenylmethyl)amino]-

Structural Information

Molecular Formula
C16H15N3O2
SMILES
C1C(=NC(C2=CC=CC=C2)C3=CC=CC=C3)NC(=O)NO1
InChI
InChI=1S/C16H15N3O2/c20-16-18-14(11-21-19-16)17-15(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,15H,11H2,(H2,17,18,19,20)
InChIKey
LKHWZIGGLHNGNN-UHFFFAOYSA-N
Compound name
5-benzhydrylimino-1,2,4-oxadiazinan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

281.11642 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.9
[M+Na]+ 304.10564 168.8
[M-H]- 280.10914 170.1
[M+NH4]+ 299.15024 174.3
[M+K]+ 320.07958 164.3
[M+H-H2O]+ 264.11368 154.4
[M+HCOO]- 326.11462 181.3
[M+CH3COO]- 340.13027 173.9
[M+Na-2H]- 302.09109 170.2
[M]+ 281.11587 157.9
[M]- 281.11697 157.9
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