CID 3010571

4-[5-(4,5-dihydro-1h-imidazol-2-yl)benzothiophen-2-yl]benzamidine

Structural Information

Molecular Formula
C18H16N4S
SMILES
C1CN=C(N1)C2=CC3=C(C=C2)SC(=C3)C4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C18H16N4S/c19-17(20)12-3-1-11(2-4-12)16-10-14-9-13(5-6-15(14)23-16)18-21-7-8-22-18/h1-6,9-10H,7-8H2,(H3,19,20)(H,21,22)
InChIKey
DMEOCTNJEXNAIT-UHFFFAOYSA-N
Compound name
4-[5-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

320.10956 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.11684 170.7
[M+Na]+ 343.09878 179.9
[M-H]- 319.10228 178.6
[M+NH4]+ 338.14338 186.3
[M+K]+ 359.07272 172.3
[M+H-H2O]+ 303.10682 163.3
[M+HCOO]- 365.10776 188.6
[M+CH3COO]- 379.12341 181.8
[M+Na-2H]- 341.08423 171.2
[M]+ 320.10901 169.3
[M]- 320.11011 169.3
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

No patent data available for this compound.