CID 3061264

Brn 4586066

Structural Information

Molecular Formula
C24H25Cl2N3
SMILES
CC1=CC=C(C=C1)N2CCN(CC2)C3=CC=C(C=C3)NCC4=CC(=CC(=C4)Cl)Cl
InChI
InChI=1S/C24H25Cl2N3/c1-18-2-6-23(7-3-18)28-10-12-29(13-11-28)24-8-4-22(5-9-24)27-17-19-14-20(25)16-21(26)15-19/h2-9,14-16,27H,10-13,17H2,1H3
InChIKey
KCGGCYATEQGXBO-UHFFFAOYSA-N
Compound name
N-[(3,5-dichlorophenyl)methyl]-4-[4-(4-methylphenyl)piperazin-1-yl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.14255 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.14983 204.0
[M+Na]+ 448.13177 210.4
[M-H]- 424.13527 211.5
[M+NH4]+ 443.17637 211.6
[M+K]+ 464.10571 200.7
[M+H-H2O]+ 408.13981 191.6
[M+HCOO]- 470.14075 211.4
[M+CH3COO]- 484.15640 211.0
[M+Na-2H]- 446.11722 203.7
[M]+ 425.14200 202.8
[M]- 425.14310 202.8
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.