CID 3062219

1h-naphth(1,2-d)imidazole, 2-(2-(4-(4-chlorophenyl)-1-piperazinyl)ethyl)-1-methyl-

Structural Information

Molecular Formula
C24H25ClN4
SMILES
CN1C(=NC2=C1C3=CC=CC=C3C=C2)CCN4CCN(CC4)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H25ClN4/c1-27-23(26-22-11-6-18-4-2-3-5-21(18)24(22)27)12-13-28-14-16-29(17-15-28)20-9-7-19(25)8-10-20/h2-11H,12-17H2,1H3
InChIKey
ZNFPJYOJFBZARP-UHFFFAOYSA-N
Compound name
2-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-1-methylbenzo[e]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

404.1768 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.18408 201.9
[M+Na]+ 427.16602 210.9
[M-H]- 403.16952 207.0
[M+NH4]+ 422.21062 211.3
[M+K]+ 443.13996 200.8
[M+H-H2O]+ 387.17406 188.4
[M+HCOO]- 449.17500 210.7
[M+CH3COO]- 463.19065 209.5
[M+Na-2H]- 425.15147 202.4
[M]+ 404.17625 202.6
[M]- 404.17735 202.6
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

patents stripe