CID 485020

(4r)-n-[(4-nitrophenyl)methyl]-2-oxo-4-(thiazol-2-ylmethyl)azetidine-1-carboxamide

Structural Information

Molecular Formula
C15H14N4O4S
SMILES
C1[C@@H](N(C1=O)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])CC3=NC=CS3
InChI
InChI=1S/C15H14N4O4S/c20-14-8-12(7-13-16-5-6-24-13)18(14)15(21)17-9-10-1-3-11(4-2-10)19(22)23/h1-6,12H,7-9H2,(H,17,21)/t12-/m0/s1
InChIKey
QZZZUZDXVPLITL-LBPRGKRZSA-N
Compound name
(4R)-N-[(4-nitrophenyl)methyl]-2-oxo-4-(1,3-thiazol-2-ylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.07358 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.08086 173.4
[M+Na]+ 369.06280 175.8
[M-H]- 345.06630 179.9
[M+NH4]+ 364.10740 177.7
[M+K]+ 385.03674 171.4
[M+H-H2O]+ 329.07084 161.6
[M+HCOO]- 391.07178 189.7
[M+CH3COO]- 405.08743 206.3
[M+Na-2H]- 367.04825 174.6
[M]+ 346.07303 180.7
[M]- 346.07413 180.7
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.