CID 5278781

N-(benzotriazol-1-ylmethyl)-2-(2-oxoazetidin-1-yl)pentanamide

Structural Information

Molecular Formula
C15H19N5O2
SMILES
CCCC(C(=O)NCN1C2=CC=CC=C2N=N1)N3CCC3=O
InChI
InChI=1S/C15H19N5O2/c1-2-5-13(19-9-8-14(19)21)15(22)16-10-20-12-7-4-3-6-11(12)17-18-20/h3-4,6-7,13H,2,5,8-10H2,1H3,(H,16,22)
InChIKey
ILQRQQAVHMYEFV-UHFFFAOYSA-N
Compound name
N-(benzotriazol-1-ylmethyl)-2-(2-oxoazetidin-1-yl)pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.15387 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.16115 172.3
[M+Na]+ 324.14309 177.9
[M-H]- 300.14659 174.3
[M+NH4]+ 319.18769 177.8
[M+K]+ 340.11703 177.4
[M+H-H2O]+ 284.15113 156.5
[M+HCOO]- 346.15207 189.3
[M+CH3COO]- 360.16772 209.0
[M+Na-2H]- 322.12854 174.5
[M]+ 301.15332 182.8
[M]- 301.15442 182.8
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.