CID 972473

Jd123

Structural Information

Molecular Formula
C12H11N5S2
SMILES
CC1=C(SC(=N1)N)C2=CSC(=N2)NC3=CN=CC=C3
InChI
InChI=1S/C12H11N5S2/c1-7-10(19-11(13)15-7)9-6-18-12(17-9)16-8-3-2-4-14-5-8/h2-6H,1H3,(H2,13,15)(H,16,17)
InChIKey
TXTUDXNTPIORFT-UHFFFAOYSA-N
Compound name
4-methyl-5-[2-(pyridin-3-ylamino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

289.0456 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.052876 158.1
[M+Na]+ 312.034818 171.1
[M-H]- 288.038324 166.0
[M+NH4]+ 307.079423 174.4
[M+K]+ 328.008758 164.3
[M+H-H2O]+ 272.042860 151.0
[M+HCOO]- 334.043801 175.3
[M+CH3COO]- 348.059451 171.0
[M+Na-2H]- 310.020266 158.7
[M]+ 289.04505142 161.5
[M]- 289.04614858 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

literature stripe

Patent stripe

patents stripe