CID 5468549

Chembl1195981

Structural Information

Molecular Formula
C14H16N6S
SMILES
CC1=CC=C(C=C1)C2=C(N3CCSC3=N2)/C=N/N=C(N)N
InChI
InChI=1S/C14H16N6S/c1-9-2-4-10(5-3-9)12-11(8-17-19-13(15)16)20-6-7-21-14(20)18-12/h2-5,8H,6-7H2,1H3,(H4,15,16,19)/b17-8+
InChIKey
OQANTGDLXHMOET-CAOOACKPSA-N
Compound name
2-[(E)-[6-(4-methylphenyl)-2,3-dihydroimidazo[2,1-b][1,3]thiazol-5-yl]methylideneamino]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

300.11572 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12300 165.8
[M+Na]+ 323.10494 174.0
[M-H]- 299.10844 173.6
[M+NH4]+ 318.14954 183.6
[M+K]+ 339.07888 169.6
[M+H-H2O]+ 283.11298 157.5
[M+HCOO]- 345.11392 187.9
[M+CH3COO]- 359.12957 177.6
[M+Na-2H]- 321.09039 166.8
[M]+ 300.11517 166.0
[M]- 300.11627 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.