CID 6481290

Chembl328651

Structural Information

Molecular Formula
C20H16Cl2N4
SMILES
C1=CC(=CC=C1C2=CNC=C2C(C3=C(C=C(C=C3)Cl)Cl)N4C=CN=C4)N
InChI
InChI=1S/C20H16Cl2N4/c21-14-3-6-16(19(22)9-14)20(26-8-7-24-12-26)18-11-25-10-17(18)13-1-4-15(23)5-2-13/h1-12,20,25H,23H2
InChIKey
CKSSJMQIIJQZNV-UHFFFAOYSA-N
Compound name
4-[4-[(2,4-dichlorophenyl)-imidazol-1-ylmethyl]-1H-pyrrol-3-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.0752 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.08248 188.0
[M+Na]+ 405.06442 198.1
[M-H]- 381.06792 195.5
[M+NH4]+ 400.10902 199.0
[M+K]+ 421.03836 188.5
[M+H-H2O]+ 365.07246 177.4
[M+HCOO]- 427.07340 199.7
[M+CH3COO]- 441.08905 197.5
[M+Na-2H]- 403.04987 186.4
[M]+ 382.07465 189.8
[M]- 382.07575 189.8
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.