CID 2817763

{[2,6-diamino-5-(cyanosulfanyl)pyridin-3-yl]sulfanyl}formonitrile

Structural Information

Molecular Formula
C7H5N5S2
SMILES
C1=C(C(=NC(=C1SC#N)N)N)SC#N
InChI
InChI=1S/C7H5N5S2/c8-2-13-4-1-5(14-3-9)7(11)12-6(4)10/h1H,(H4,10,11,12)
InChIKey
ZXOBLNBVNROVLC-UHFFFAOYSA-N
Compound name
(2,6-diamino-5-thiocyanatopyridin-3-yl) thiocyanate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

49
Patents

222.99864 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.00592 163.3
[M+Na]+ 245.98786 173.2
[M-H]- 221.99136 166.4
[M+NH4]+ 241.03246 174.5
[M+K]+ 261.96180 171.3
[M+H-H2O]+ 205.99590 148.1
[M+HCOO]- 267.99684 168.3
[M+CH3COO]- 282.01249 220.3
[M+Na-2H]- 243.97331 162.0
[M]+ 222.99809 155.2
[M]- 222.99919 155.2
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