CID 3063269

Brn 0326439

Structural Information

Molecular Formula
C12H18N4O2S3
SMILES
CCCC1=C(SC(=N1)N)S(=O)(=O)C2=C(N=C(S2)N)CCC
InChI
InChI=1S/C12H18N4O2S3/c1-3-5-7-9(19-11(13)15-7)21(17,18)10-8(6-4-2)16-12(14)20-10/h3-6H2,1-2H3,(H2,13,15)(H2,14,16)
InChIKey
ZYEKEPAJGWWLAM-UHFFFAOYSA-N
Compound name
5-[(2-amino-4-propyl-1,3-thiazol-5-yl)sulfonyl]-4-propyl-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0592 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.06648 176.9
[M+Na]+ 369.04842 188.2
[M-H]- 345.05192 180.8
[M+NH4]+ 364.09302 191.6
[M+K]+ 385.02236 180.2
[M+H-H2O]+ 329.05646 171.1
[M+HCOO]- 391.05740 185.6
[M+CH3COO]- 405.07305 210.5
[M+Na-2H]- 367.03387 174.2
[M]+ 346.05865 180.9
[M]- 346.05975 180.9
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.