CID 5468547

Nsc671449

Structural Information

Molecular Formula
C13H12N6S
SMILES
C1=CC=C(C=C1)C2=C(N3C=CSC3=N2)/C=N/N=C(N)N
InChI
InChI=1S/C13H12N6S/c14-12(15)18-16-8-10-11(9-4-2-1-3-5-9)17-13-19(10)6-7-20-13/h1-8H,(H4,14,15,18)/b16-8+
InChIKey
KDBAPMXTNHFRIH-LZYBPNLTSA-N
Compound name
2-[(E)-(6-phenylimidazo[2,1-b][1,3]thiazol-5-yl)methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.0844 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.09168 159.3
[M+Na]+ 307.07362 169.1
[M-H]- 283.07712 167.8
[M+NH4]+ 302.11822 177.7
[M+K]+ 323.04756 164.6
[M+H-H2O]+ 267.08166 150.9
[M+HCOO]- 329.08260 184.6
[M+CH3COO]- 343.09825 172.3
[M+Na-2H]- 305.05907 163.4
[M]+ 284.08385 161.5
[M]- 284.08495 161.5
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.