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

literature stripe

Patent stripe

patents stripe