CID 6519324

Nsc684399

Structural Information

Molecular Formula
C14H10N4O3S
SMILES
CCO/C=N\C1=C(SC2=N/C(=C\C3=CC=CO3)/C(=O)N12)C#N
InChI
InChI=1S/C14H10N4O3S/c1-2-20-8-16-12-11(7-15)22-14-17-10(13(19)18(12)14)6-9-4-3-5-21-9/h3-6,8H,2H2,1H3/b10-6-,16-8-
InChIKey
WGHMNZXZFSGCNM-YVBZAUQLSA-N
Compound name
ethyl (1Z)-N-[(6Z)-2-cyano-6-(furan-2-ylmethylidene)-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

314.04736 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.05464 174.3
[M+Na]+ 337.03658 187.3
[M-H]- 313.04008 181.0
[M+NH4]+ 332.08118 190.6
[M+K]+ 353.01052 183.3
[M+H-H2O]+ 297.04462 161.0
[M+HCOO]- 359.04556 190.8
[M+CH3COO]- 373.06121 185.4
[M+Na-2H]- 335.02203 172.5
[M]+ 314.04681 176.1
[M]- 314.04791 176.1
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.