CID 5278785

1-azetidineacetamide, n-(1h-1,2,3-benzotriazol-1-ylmethyl)-4-phenyl-2-oxo-.alpha.-phenyl-

Structural Information

Molecular Formula
C24H21N5O2
SMILES
C1C(N(C1=O)C(C2=CC=CC=C2)C(=O)NCN3C4=CC=CC=C4N=N3)C5=CC=CC=C5
InChI
InChI=1S/C24H21N5O2/c30-22-15-21(17-9-3-1-4-10-17)29(22)23(18-11-5-2-6-12-18)24(31)25-16-28-20-14-8-7-13-19(20)26-27-28/h1-14,21,23H,15-16H2,(H,25,31)
InChIKey
POQDQMAIOWSNCH-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2-(2-oxo-4-phenylazetidin-1-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

411.16953 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.17681 197.5
[M+Na]+ 434.15875 202.4
[M-H]- 410.16225 205.2
[M+NH4]+ 429.20335 197.5
[M+K]+ 450.13269 199.0
[M+H-H2O]+ 394.16679 178.8
[M+HCOO]- 456.16773 213.6
[M+CH3COO]- 470.18338 204.6
[M+Na-2H]- 432.14420 199.2
[M]+ 411.16898 205.8
[M]- 411.17008 205.8
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

No patent data available for this compound.