CID 377492

Nsc658960

Structural Information

Molecular Formula
C22H17N3O2
SMILES
C1C(=O)NC2=CC=CC=C2N3C1(ON=C3C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C22H17N3O2/c26-20-15-22(17-11-5-2-6-12-17)25(19-14-8-7-13-18(19)23-20)21(24-27-22)16-9-3-1-4-10-16/h1-14H,15H2,(H,23,26)
InChIKey
FRNHVBUPYHIMAM-UHFFFAOYSA-N
Compound name
1,3a-diphenyl-4,6-dihydro-[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazepin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13208 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.13936 187.5
[M+Na]+ 378.12130 195.9
[M-H]- 354.12480 195.7
[M+NH4]+ 373.16590 198.6
[M+K]+ 394.09524 192.2
[M+H-H2O]+ 338.12934 176.4
[M+HCOO]- 400.13028 201.6
[M+CH3COO]- 414.14593 196.4
[M+Na-2H]- 376.10675 191.9
[M]+ 355.13153 183.0
[M]- 355.13263 183.0
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.