CID 9571582

Nsc684397

Structural Information

Molecular Formula
C16H12N4O2S
SMILES
CCO/C=N/C1=C(SC2=N/C(=C\C3=CC=CC=C3)/C(=O)N12)C#N
InChI
InChI=1S/C16H12N4O2S/c1-2-22-10-18-14-13(9-17)23-16-19-12(15(21)20(14)16)8-11-6-4-3-5-7-11/h3-8,10H,2H2,1H3/b12-8-,18-10+
InChIKey
YIRFWAIRGXOUFQ-DVHDXZMDSA-N
Compound name
ethyl (1E)-N-[(6Z)-6-benzylidene-2-cyano-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

324.06808 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.07536 180.2
[M+Na]+ 347.05730 192.7
[M-H]- 323.06080 185.9
[M+NH4]+ 342.10190 195.7
[M+K]+ 363.03124 186.0
[M+H-H2O]+ 307.06534 165.7
[M+HCOO]- 369.06628 196.0
[M+CH3COO]- 383.08193 190.4
[M+Na-2H]- 345.04275 179.0
[M]+ 324.06753 180.0
[M]- 324.06863 180.0
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.