CID 5278784

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

Structural Information

Molecular Formula
C19H19N5O2
SMILES
CC1CN(C1=O)C(C2=CC=CC=C2)C(=O)NCN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C19H19N5O2/c1-13-11-23(19(13)26)17(14-7-3-2-4-8-14)18(25)20-12-24-16-10-6-5-9-15(16)21-22-24/h2-10,13,17H,11-12H2,1H3,(H,20,25)
InChIKey
RJDQQBCJAVVNNA-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2-(3-methyl-2-oxoazetidin-1-yl)-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.15387 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.16115 183.6
[M+Na]+ 372.14309 189.5
[M-H]- 348.14659 188.8
[M+NH4]+ 367.18769 186.8
[M+K]+ 388.11703 187.5
[M+H-H2O]+ 332.15113 166.6
[M+HCOO]- 394.15207 200.4
[M+CH3COO]- 408.16772 192.0
[M+Na-2H]- 370.12854 185.4
[M]+ 349.15332 193.1
[M]- 349.15442 193.1
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.