CID 9571583

Nsc684398

Structural Information

Molecular Formula
C17H14N4O3S
SMILES
CCO/C=N/C1=C(SC2=N/C(=C\C3=CC=C(C=C3)OC)/C(=O)N12)C#N
InChI
InChI=1S/C17H14N4O3S/c1-3-24-10-19-15-14(9-18)25-17-20-13(16(22)21(15)17)8-11-4-6-12(23-2)7-5-11/h4-8,10H,3H2,1-2H3/b13-8-,19-10+
InChIKey
QWXSUNLIDKDWMQ-KGIYGKSBSA-N
Compound name
ethyl (1E)-N-[(6Z)-2-cyano-6-[(4-methoxyphenyl)methylidene]-5-oxoimidazo[2,1-b][1,3]thiazol-3-yl]methanimidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.07867 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.08595 186.3
[M+Na]+ 377.06789 198.6
[M-H]- 353.07139 192.1
[M+NH4]+ 372.11249 200.7
[M+K]+ 393.04183 192.4
[M+H-H2O]+ 337.07593 171.8
[M+HCOO]- 399.07687 201.8
[M+CH3COO]- 413.09252 223.4
[M+Na-2H]- 375.05334 184.3
[M]+ 354.07812 187.8
[M]- 354.07922 187.8
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.