CID 115224

[3-[(6-chloropyridin-3-yl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide

Structural Information

Molecular Formula
C10H9ClN4S
SMILES
C1CSC(=NC#N)N1CC2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H9ClN4S/c11-9-2-1-8(5-13-9)6-15-3-4-16-10(15)14-7-12/h1-2,5H,3-4,6H2
InChIKey
HOKKPVIRMVDYPB-UHFFFAOYSA-N
Compound name
[3-[(6-chloro-3-pyridinyl)methyl]-1,3-thiazolidin-2-ylidene]cyanamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

429
References

37346
Patents

252.02365 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.03093 156.8
[M+Na]+ 275.01287 168.1
[M-H]- 251.01637 161.2
[M+NH4]+ 270.05747 173.0
[M+K]+ 290.98681 162.5
[M+H-H2O]+ 235.02091 142.4
[M+HCOO]- 297.02185 167.5
[M+CH3COO]- 311.03750 167.4
[M+Na-2H]- 272.99832 157.8
[M]+ 252.02310 153.3
[M]- 252.02420 153.3
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.