CID 6481237

Chembl277247

Structural Information

Molecular Formula
C21H18ClN3
SMILES
CN1C=C(C(=C1)C(C2=CC=CC=C2)N3C=CN=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C21H18ClN3/c1-24-13-19(16-7-9-18(22)10-8-16)20(14-24)21(25-12-11-23-15-25)17-5-3-2-4-6-17/h2-15,21H,1H3
InChIKey
VJDVORCCRYTYRE-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-methylpyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

347.11893 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.12621 182.1
[M+Na]+ 370.10815 192.0
[M-H]- 346.11165 191.7
[M+NH4]+ 365.15275 195.0
[M+K]+ 386.08209 184.0
[M+H-H2O]+ 330.11619 170.8
[M+HCOO]- 392.11713 199.7
[M+CH3COO]- 406.13278 193.1
[M+Na-2H]- 368.09360 181.9
[M]+ 347.11838 185.6
[M]- 347.11948 185.6
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