CID 409905

Pseudourea, 2-(2-pyridyl)-2-thio-, dihydrobromide

Structural Information

Molecular Formula
C6H7N3S
SMILES
C1=CC=NC(=C1)SC(=N)N
InChI
InChI=1S/C6H7N3S/c7-6(8)10-5-3-1-2-4-9-5/h1-4H,(H3,7,8)
InChIKey
SPRQUVRVVMWPPB-UHFFFAOYSA-N
Compound name
pyridin-2-yl carbamimidothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

153.03607 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.04335 128.3
[M+Na]+ 176.02529 135.8
[M-H]- 152.02879 130.4
[M+NH4]+ 171.06989 147.7
[M+K]+ 191.99923 132.5
[M+H-H2O]+ 136.03333 121.7
[M+HCOO]- 198.03427 147.8
[M+CH3COO]- 212.04992 177.0
[M+Na-2H]- 174.01074 133.4
[M]+ 153.03552 125.8
[M]- 153.03662 125.8
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