CID 3063289

Timirdine

Structural Information

Molecular Formula
C9H10ClN3S
SMILES
C1CSC(=N)N1C2=C(C=C(C=C2)Cl)N
InChI
InChI=1S/C9H10ClN3S/c10-6-1-2-8(7(11)5-6)13-3-4-14-9(13)12/h1-2,5,12H,3-4,11H2
InChIKey
YYPCUGJKDYEIHT-UHFFFAOYSA-N
Compound name
5-chloro-2-(2-imino-1,3-thiazolidin-3-yl)aniline
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

76
Patents

227.0284 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.035676 147.8
[M+Na]+ 250.017618 156.9
[M-H]- 226.021124 153.2
[M+NH4]+ 245.062223 167.3
[M+K]+ 265.991558 151.0
[M+H-H2O]+ 210.025660 141.8
[M+HCOO]- 272.026601 162.1
[M+CH3COO]- 286.042251 160.2
[M+Na-2H]- 248.003066 148.1
[M]+ 227.02785142 145.9
[M]- 227.02894858 145.9
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

patents stripe