CID 460722

1-[(1-methyl-4-phenyl-pyrrol-3-yl)-(2-thienyl)methyl]imidazole

Structural Information

Molecular Formula
C19H17N3S
SMILES
CN1C=C(C(=C1)C(C2=CC=CS2)N3C=CN=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H17N3S/c1-21-12-16(15-6-3-2-4-7-15)17(13-21)19(18-8-5-11-23-18)22-10-9-20-14-22/h2-14,19H,1H3
InChIKey
DLYHIXUYVNSOGW-UHFFFAOYSA-N
Compound name
1-[(1-methyl-4-phenylpyrrol-3-yl)-thiophen-2-ylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.11432 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12160 173.6
[M+Na]+ 342.10354 184.5
[M-H]- 318.10704 185.2
[M+NH4]+ 337.14814 190.1
[M+K]+ 358.07748 179.4
[M+H-H2O]+ 302.11158 165.3
[M+HCOO]- 364.11252 193.7
[M+CH3COO]- 378.12817 186.3
[M+Na-2H]- 340.08899 170.2
[M]+ 319.11377 178.2
[M]- 319.11487 178.2
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.