CID 90821

22662-86-8

Structural Information

Molecular Formula
C24H27ClN4
SMILES
C1CN(CCN1CCNC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=N4
InChI
InChI=1S/C24H27ClN4/c25-22-11-9-21(10-12-22)24(20-6-2-1-3-7-20)27-14-15-28-16-18-29(19-17-28)23-8-4-5-13-26-23/h1-13,24,27H,14-19H2
InChIKey
RJDLIBPFKDOHHJ-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)-phenylmethyl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.1924 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.19968 198.6
[M+Na]+ 429.18162 201.4
[M-H]- 405.18512 204.5
[M+NH4]+ 424.22622 203.9
[M+K]+ 445.15556 192.6
[M+H-H2O]+ 389.18966 184.6
[M+HCOO]- 451.19060 208.7
[M+CH3COO]- 465.20625 204.5
[M+Na-2H]- 427.16707 200.8
[M]+ 406.19185 194.4
[M]- 406.19295 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.