CID 6481240

Chembl189948

Structural Information

Molecular Formula
C24H22ClN3
SMILES
C1CC1CN2C=C(C(=C2)C(C3=CC=CC=C3)N4C=CN=C4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H22ClN3/c25-21-10-8-19(9-11-21)22-15-27(14-18-6-7-18)16-23(22)24(28-13-12-26-17-28)20-4-2-1-3-5-20/h1-5,8-13,15-18,24H,6-7,14H2
InChIKey
ZXLRNMQDJALOBD-UHFFFAOYSA-N
Compound name
1-[[4-(4-chlorophenyl)-1-(cyclopropylmethyl)pyrrol-3-yl]-phenylmethyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

387.15024 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.15752 189.6
[M+Na]+ 410.13946 199.5
[M-H]- 386.14296 201.3
[M+NH4]+ 405.18406 196.1
[M+K]+ 426.11340 190.7
[M+H-H2O]+ 370.14750 178.6
[M+HCOO]- 432.14844 207.1
[M+CH3COO]- 446.16409 199.3
[M+Na-2H]- 408.12491 188.2
[M]+ 387.14969 194.4
[M]- 387.15079 194.4
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.