CID 5278771

N-(benzotriazol-1-ylmethyl)-2-(2-oxoazetidin-1-yl)-2-phenyl-acetamide

Structural Information

Molecular Formula
C18H17N5O2
SMILES
C1CN(C1=O)C(C2=CC=CC=C2)C(=O)NCN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C18H17N5O2/c24-16-10-11-22(16)17(13-6-2-1-3-7-13)18(25)19-12-23-15-9-5-4-8-14(15)20-21-23/h1-9,17H,10-12H2,(H,19,25)
InChIKey
RZEHJLPGYAXJIU-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2-(2-oxoazetidin-1-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.1382 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.14548 177.4
[M+Na]+ 358.12742 183.0
[M-H]- 334.13092 182.5
[M+NH4]+ 353.17202 180.9
[M+K]+ 374.10136 181.2
[M+H-H2O]+ 318.13546 160.4
[M+HCOO]- 380.13640 194.6
[M+CH3COO]- 394.15205 186.1
[M+Na-2H]- 356.11287 180.7
[M]+ 335.13765 186.3
[M]- 335.13875 186.3
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.