CID 5278760

N-(benzotriazol-1-ylmethyl)-2-(2-methyl-4-oxo-azetidin-1-yl)-3-phenyl-propanamide

Structural Information

Molecular Formula
C20H21N5O2
SMILES
CC1CC(=O)N1C(CC2=CC=CC=C2)C(=O)NCN3C4=CC=CC=C4N=N3
InChI
InChI=1S/C20H21N5O2/c1-14-11-19(26)25(14)18(12-15-7-3-2-4-8-15)20(27)21-13-24-17-10-6-5-9-16(17)22-23-24/h2-10,14,18H,11-13H2,1H3,(H,21,27)
InChIKey
FDDUZCJIGZOPHB-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2-(2-methyl-4-oxoazetidin-1-yl)-3-phenylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.16953 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.17681 188.0
[M+Na]+ 386.15875 193.5
[M-H]- 362.16225 193.0
[M+NH4]+ 381.20335 190.6
[M+K]+ 402.13269 191.3
[M+H-H2O]+ 346.16679 170.8
[M+HCOO]- 408.16773 204.4
[M+CH3COO]- 422.18338 220.6
[M+Na-2H]- 384.14420 189.3
[M]+ 363.16898 197.9
[M]- 363.17008 197.9
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.