CID 15572362

76833-47-1

Structural Information

Molecular Formula
C8H14N6S2
SMILES
C1=C(N=C(S1)N=C(N)N)CSCCC(=N)N
InChI
InChI=1S/C8H14N6S2/c9-6(10)1-2-15-3-5-4-16-8(13-5)14-7(11)12/h4H,1-3H2,(H3,9,10)(H4,11,12,13,14)
InChIKey
FANULGZDUAVRRS-UHFFFAOYSA-N
Compound name
3-[[2-(diaminomethylideneamino)-1,3-thiazol-4-yl]methylsulfanyl]propanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

258.07214 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07942 151.0
[M+Na]+ 281.06136 156.0
[M-H]- 257.06486 152.5
[M+NH4]+ 276.10596 166.8
[M+K]+ 297.03530 150.9
[M+H-H2O]+ 241.06940 142.3
[M+HCOO]- 303.07034 166.2
[M+CH3COO]- 317.08599 205.7
[M+Na-2H]- 279.04681 150.2
[M]+ 258.07159 147.3
[M]- 258.07269 147.3
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