CID 9578692

37853-21-7

Structural Information

Molecular Formula
C14H10N2OS
SMILES
C1=CC=C(C=C1)/C=N/C2=CC(=NO2)C3=CC=CS3
InChI
InChI=1S/C14H10N2OS/c1-2-5-11(6-3-1)10-15-14-9-12(16-17-14)13-7-4-8-18-13/h1-10H/b15-10+
InChIKey
MCXFSKUTQLANCS-XNTDXEJSSA-N
Compound name
(E)-1-phenyl-N-(3-thiophen-2-yl-1,2-oxazol-5-yl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.05139 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.05867 154.6
[M+Na]+ 277.04061 165.8
[M-H]- 253.04411 166.8
[M+NH4]+ 272.08521 173.8
[M+K]+ 293.01455 162.7
[M+H-H2O]+ 237.04865 147.6
[M+HCOO]- 299.04959 179.7
[M+CH3COO]- 313.06524 169.5
[M+Na-2H]- 275.02606 158.3
[M]+ 254.05084 160.2
[M]- 254.05194 160.2
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.