CID 206023

1h-imidazole, 4,5-dihydro-2-(4-(6-(4,5-dihydro-1h-imidazol-2-yl)benzo(b)thien-2-yl)phenyl)-

Structural Information

Molecular Formula
C20H18N4S
SMILES
C1CN=C(N1)C2=CC=C(C=C2)C3=CC4=C(S3)C=C(C=C4)C5=NCCN5
InChI
InChI=1S/C20H18N4S/c1-3-14(19-21-7-8-22-19)4-2-13(1)17-11-15-5-6-16(12-18(15)25-17)20-23-9-10-24-20/h1-6,11-12H,7-10H2,(H,21,22)(H,23,24)
InChIKey
XEZBSEOSEVYUJO-UHFFFAOYSA-N
Compound name
2-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzothiophen-2-yl]phenyl]-4,5-dihydro-1H-imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

5
Patents

346.1252 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.13248 177.2
[M+Na]+ 369.11442 187.6
[M-H]- 345.11792 185.5
[M+NH4]+ 364.15902 191.1
[M+K]+ 385.08836 179.8
[M+H-H2O]+ 329.12246 169.4
[M+HCOO]- 391.12340 191.2
[M+CH3COO]- 405.13905 187.7
[M+Na-2H]- 367.09987 173.9
[M]+ 346.12465 176.6
[M]- 346.12575 176.6
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.