CID 42597040

Chembl515875

Structural Information

Molecular Formula
C20H22ClN3
SMILES
CN(C)C1=CC=C(C=C1)C2=NC3=C(N2C4CCCC4)C=CC(=C3)Cl
InChI
InChI=1S/C20H22ClN3/c1-23(2)16-10-7-14(8-11-16)20-22-18-13-15(21)9-12-19(18)24(20)17-5-3-4-6-17/h7-13,17H,3-6H2,1-2H3
InChIKey
ADJLQPHOEDTFCZ-UHFFFAOYSA-N
Compound name
4-(5-chloro-1-cyclopentylbenzimidazol-2-yl)-N,N-dimethylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.15024 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.15752 182.9
[M+Na]+ 362.13946 191.9
[M-H]- 338.14296 192.6
[M+NH4]+ 357.18406 199.5
[M+K]+ 378.11340 185.3
[M+H-H2O]+ 322.14750 173.2
[M+HCOO]- 384.14844 200.5
[M+CH3COO]- 398.16409 194.2
[M+Na-2H]- 360.12491 182.2
[M]+ 339.14969 185.8
[M]- 339.15079 185.8
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.