CID 28410470

4-(pyridin-2-ylsulfanyl)benzene-1-carboximidamide hydrochloride

Structural Information

Molecular Formula
C12H11N3S
SMILES
C1=CC=NC(=C1)SC2=CC=C(C=C2)C(=N)N
InChI
InChI=1S/C12H11N3S/c13-12(14)9-4-6-10(7-5-9)16-11-3-1-2-8-15-11/h1-8H,(H3,13,14)
InChIKey
IZTPBSMZNSJINA-UHFFFAOYSA-N
Compound name
4-pyridin-2-ylsulfanylbenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.06737 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.07465 148.0
[M+Na]+ 252.05659 155.3
[M-H]- 228.06009 153.1
[M+NH4]+ 247.10119 164.2
[M+K]+ 268.03053 149.8
[M+H-H2O]+ 212.06463 140.1
[M+HCOO]- 274.06557 167.2
[M+CH3COO]- 288.08122 159.8
[M+Na-2H]- 250.04204 152.5
[M]+ 229.06682 145.8
[M]- 229.06792 145.8
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

No patent data available for this compound.