CID 485016

(2s)-2-[(2-methyltetrazol-5-yl)methyl]-n-[(4-nitrophenyl)methyl]-4-oxo-azetidine-1-carboxamide

Structural Information

Molecular Formula
C14H15N7O4
SMILES
CN1N=C(N=N1)C[C@H]2CC(=O)N2C(=O)NCC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H15N7O4/c1-19-17-12(16-18-19)6-11-7-13(22)20(11)14(23)15-8-9-2-4-10(5-3-9)21(24)25/h2-5,11H,6-8H2,1H3,(H,15,23)/t11-/m0/s1
InChIKey
KHSMCEMTKOPODU-NSHDSACASA-N
Compound name
(2S)-2-[(2-methyltetrazol-5-yl)methyl]-N-[(4-nitrophenyl)methyl]-4-oxoazetidine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

345.11856 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.12584 176.9
[M+Na]+ 368.10778 180.9
[M-H]- 344.11128 180.5
[M+NH4]+ 363.15238 177.2
[M+K]+ 384.08172 176.9
[M+H-H2O]+ 328.11582 163.5
[M+HCOO]- 390.11676 194.5
[M+CH3COO]- 404.13241 209.6
[M+Na-2H]- 366.09323 180.7
[M]+ 345.11801 183.6
[M]- 345.11911 183.6
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.