CID 485011

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

Structural Information

Molecular Formula
C16H15N3O4S
SMILES
C1[C@@H](N(C1=O)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-])CC3=CC=CS3
InChI
InChI=1S/C16H15N3O4S/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
LAZZDVGSOUOLBQ-ZDUSSCGKSA-N
Compound name
(4R)-N-[(4-nitrophenyl)methyl]-2-oxo-4-(thiophen-2-ylmethyl)azetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.07834 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08562 174.5
[M+Na]+ 368.06756 176.4
[M-H]- 344.07106 182.1
[M+NH4]+ 363.11216 180.1
[M+K]+ 384.04150 172.0
[M+H-H2O]+ 328.07560 163.3
[M+HCOO]- 390.07654 191.6
[M+CH3COO]- 404.09219 206.6
[M+Na-2H]- 366.05301 174.9
[M]+ 345.07779 181.8
[M]- 345.07889 181.8
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.