CID 5278796

2-azetidinecarboxylic acid, 1-[2-[(1h-1,2,3-benzotriazol-1-ylmethyl)amino]-2-oxo-1-phenylethyl]-4-oxo-, phenylmethyl ester

Structural Information

Molecular Formula
C26H23N5O4
SMILES
C1C(N(C1=O)C(C2=CC=CC=C2)C(=O)NCN3C4=CC=CC=C4N=N3)C(=O)OCC5=CC=CC=C5
InChI
InChI=1S/C26H23N5O4/c32-23-15-22(26(34)35-16-18-9-3-1-4-10-18)31(23)24(19-11-5-2-6-12-19)25(33)27-17-30-21-14-8-7-13-20(21)28-29-30/h1-14,22,24H,15-17H2,(H,27,33)
InChIKey
XSVQJQVLYSOANY-UHFFFAOYSA-N
Compound name
benzyl 1-[2-(benzotriazol-1-ylmethylamino)-2-oxo-1-phenylethyl]-4-oxoazetidine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.17502 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.18230 210.8
[M+Na]+ 492.16424 213.7
[M-H]- 468.16774 218.2
[M+NH4]+ 487.20884 207.8
[M+K]+ 508.13818 211.7
[M+H-H2O]+ 452.17228 191.5
[M+HCOO]- 514.17322 225.5
[M+CH3COO]- 528.18887 216.4
[M+Na-2H]- 490.14969 210.7
[M]+ 469.17447 220.7
[M]- 469.17557 220.7
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.