CID 479488

Chembl277947

Structural Information

Molecular Formula
C27H21Cl2N3
SMILES
C1=CC=C(C=C1)C2=CN(C=C2C(C3=CC=CC=C3)N4C=CN=C4)CC5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C27H21Cl2N3/c28-23-12-11-22(26(29)15-23)16-31-17-24(20-7-3-1-4-8-20)25(18-31)27(32-14-13-30-19-32)21-9-5-2-6-10-21/h1-15,17-19,27H,16H2
InChIKey
LLWJNOZIIIKQCR-UHFFFAOYSA-N
Compound name
1-[[1-[(2,4-dichlorophenyl)methyl]-4-phenylpyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

457.11127 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.11855 210.6
[M+Na]+ 480.10049 220.0
[M-H]- 456.10399 221.6
[M+NH4]+ 475.14509 218.9
[M+K]+ 496.07443 209.6
[M+H-H2O]+ 440.10853 197.2
[M+HCOO]- 502.10947 221.6
[M+CH3COO]- 516.12512 219.0
[M+Na-2H]- 478.08594 207.3
[M]+ 457.11072 215.1
[M]- 457.11182 215.1
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.