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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.