CID 876912

Sr-01000222773

Structural Information

Molecular Formula
C12H16N4OS
SMILES
CCC(=NNC(=O)C1=C(N=C2N1C=CS2)C)CC
InChI
InChI=1S/C12H16N4OS/c1-4-9(5-2)14-15-11(17)10-8(3)13-12-16(10)6-7-18-12/h6-7H,4-5H2,1-3H3,(H,15,17)
InChIKey
RTGWVSOTJGNLOF-UHFFFAOYSA-N
Compound name
6-methyl-N-(pentan-3-ylideneamino)imidazo[2,1-b][1,3]thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.1045 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.11178 161.2
[M+Na]+ 287.09372 170.7
[M-H]- 263.09722 165.8
[M+NH4]+ 282.13832 181.1
[M+K]+ 303.06766 168.0
[M+H-H2O]+ 247.10176 154.1
[M+HCOO]- 309.10270 182.0
[M+CH3COO]- 323.11835 202.1
[M+Na-2H]- 285.07917 161.8
[M]+ 264.10395 167.4
[M]- 264.10505 167.4
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.