CID 9570442

Trans-2-((dimethylamino)methylimino)-5-(2-(5-nitro-2-furyl)vinyl)-1,3,4-oxadiazole

Structural Information

Molecular Formula
C11H11N5O4
SMILES
CN(C)/C=N/C1=NN=C(O1)/C=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C11H11N5O4/c1-15(2)7-12-11-14-13-9(20-11)5-3-8-4-6-10(19-8)16(17)18/h3-7H,1-2H3/b5-3+,12-7+
InChIKey
QLKWZSDBTUTCIJ-PPRDQHCASA-N
Compound name
N,N-dimethyl-N'-[5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3,4-oxadiazol-2-yl]methanimidamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

277.08112 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.08840 161.4
[M+Na]+ 300.07034 169.0
[M-H]- 276.07384 170.6
[M+NH4]+ 295.11494 175.2
[M+K]+ 316.04428 165.9
[M+H-H2O]+ 260.07838 157.0
[M+HCOO]- 322.07932 190.6
[M+CH3COO]- 336.09497 199.1
[M+Na-2H]- 298.05579 169.5
[M]+ 277.08057 166.2
[M]- 277.08167 166.2
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.