CID 15956038

(5e)-2-(2-furyl)-6-phenyl-imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde oxime

Structural Information

Molecular Formula
C15H10N4O2S
SMILES
C1=CC=C(C=C1)C2=C(N3C(=N2)SC(=N3)C4=CC=CO4)/C=N/O
InChI
InChI=1S/C15H10N4O2S/c20-16-9-11-13(10-5-2-1-3-6-10)17-15-19(11)18-14(22-15)12-7-4-8-21-12/h1-9,20H/b16-9+
InChIKey
QODLWOMHLCCCQC-CXUHLZMHSA-N
Compound name
(NE)-N-[[2-(furan-2-yl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazol-5-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.05246 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.05974 166.1
[M+Na]+ 333.04168 180.2
[M-H]- 309.04518 177.2
[M+NH4]+ 328.08628 183.1
[M+K]+ 349.01562 176.6
[M+H-H2O]+ 293.04972 159.7
[M+HCOO]- 355.05066 189.2
[M+CH3COO]- 369.06631 180.4
[M+Na-2H]- 331.02713 168.2
[M]+ 310.05191 174.9
[M]- 310.05301 174.9
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.