CID 485009

(2s)-2-(2-furylmethyl)-n-[(4-nitrophenyl)methyl]-4-oxo-azetidine-1-carboxamide

Structural Information

Molecular Formula
C16H15N3O5
SMILES
C1[C@@H](N(C1=O)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CO3
InChI
InChI=1S/C16H15N3O5/c20-15-9-13(8-14-2-1-7-24-14)18(15)16(21)17-10-11-3-5-12(6-4-11)19(22)23/h1-7,13H,8-10H2,(H,17,21)/t13-/m0/s1
InChIKey
CZQMZFJCXYTHMN-ZDUSSCGKSA-N
Compound name
(2S)-2-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.10117 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10845 170.1
[M+Na]+ 352.09039 172.6
[M-H]- 328.09389 178.7
[M+NH4]+ 347.13499 174.7
[M+K]+ 368.06433 170.5
[M+H-H2O]+ 312.09843 159.4
[M+HCOO]- 374.09937 191.8
[M+CH3COO]- 388.11502 205.4
[M+Na-2H]- 350.07584 173.8
[M]+ 329.10062 177.8
[M]- 329.10172 177.8
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.