CID 9578726

1-((1-(4-methyl-2-(2-(5-nitrofuryl)vinyl)-5-thiazolyl)ethylidene)amino)guanidine sulfate (2:1)

Structural Information

Molecular Formula
C13H14N6O3S
SMILES
CC1=C(SC(=N1)/C=C/C2=CC=C(O2)[N+](=O)[O-])/C(=N\N=C(N)N)/C
InChI
InChI=1S/C13H14N6O3S/c1-7-12(8(2)17-18-13(14)15)23-10(16-7)5-3-9-4-6-11(22-9)19(20)21/h3-6H,1-2H3,(H4,14,15,18)/b5-3+,17-8-
InChIKey
VQXHYTKGTCJMJL-WSVOFQRFSA-N
Compound name
2-[(Z)-1-[4-methyl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-thiazol-5-yl]ethylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.0848 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09208 176.7
[M+Na]+ 357.07402 182.6
[M-H]- 333.07752 185.7
[M+NH4]+ 352.11862 190.3
[M+K]+ 373.04796 176.1
[M+H-H2O]+ 317.08206 172.2
[M+HCOO]- 379.08300 201.8
[M+CH3COO]- 393.09865 212.4
[M+Na-2H]- 355.05947 178.8
[M]+ 334.08425 177.0
[M]- 334.08535 177.0
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.