CID 145768

4',6-diamidinophenyl-thionaphthene

Structural Information

Molecular Formula
C16H14N4S
SMILES
C1=CC(=CC=C1C2=CC3=C(S2)C=C(C=C3)C(=N)N)C(=N)N
InChI
InChI=1S/C16H14N4S/c17-15(18)10-3-1-9(2-4-10)13-7-11-5-6-12(16(19)20)8-14(11)21-13/h1-8H,(H3,17,18)(H3,19,20)
InChIKey
SPCBWDMYJMBYDT-UHFFFAOYSA-N
Compound name
2-(4-carbamimidoylphenyl)-1-benzothiophene-6-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

11
Patents

294.0939 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10118 164.0
[M+Na]+ 317.08312 171.8
[M-H]- 293.08662 171.5
[M+NH4]+ 312.12772 181.1
[M+K]+ 333.05706 165.2
[M+H-H2O]+ 277.09116 156.9
[M+HCOO]- 339.09210 185.6
[M+CH3COO]- 353.10775 175.4
[M+Na-2H]- 315.06857 166.4
[M]+ 294.09335 161.5
[M]- 294.09445 161.5
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