CID 5075259

3-(2-(diaminomethyleneamino)thiazol-4-yl)methylthio)propiononitrile

Structural Information

Molecular Formula
C8H11N5S2
SMILES
C1=C(N=C(S1)N=C(N)N)CSCCC#N
InChI
InChI=1S/C8H11N5S2/c9-2-1-3-14-4-6-5-15-8(12-6)13-7(10)11/h5H,1,3-4H2,(H4,10,11,12,13)
InChIKey
FSKYYRZENXOYAP-UHFFFAOYSA-N
Compound name
2-[4-(2-cyanoethylsulfanylmethyl)-1,3-thiazol-2-yl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

241.0456 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.05288 156.5
[M+Na]+ 264.03482 165.1
[M-H]- 240.03832 159.0
[M+NH4]+ 259.07942 172.6
[M+K]+ 280.00876 162.1
[M+H-H2O]+ 224.04286 142.3
[M+HCOO]- 286.04380 168.1
[M+CH3COO]- 300.05945 207.7
[M+Na-2H]- 262.02027 155.6
[M]+ 241.04505 151.7
[M]- 241.04615 151.7
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