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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.