CID 18423361

Ns00057626

Structural Information

Molecular Formula
C25H27ClN2
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)CC3=CC=CC=C3C4=CC=C(C=C4)Cl
InChI
InChI=1S/C25H27ClN2/c1-20-5-4-6-21(17-20)18-27-13-15-28(16-14-27)19-23-7-2-3-8-25(23)22-9-11-24(26)12-10-22/h2-12,17H,13-16,18-19H2,1H3
InChIKey
QSGNFKBXCQZNDB-UHFFFAOYSA-N
Compound name
1-[[2-(4-chlorophenyl)phenyl]methyl]-4-[(3-methylphenyl)methyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

390.18628 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.193556 198.7
[M+Na]+ 413.175498 204.3
[M-H]- 389.179004 206.7
[M+NH4]+ 408.220103 207.2
[M+K]+ 429.149438 195.1
[M+H-H2O]+ 373.183540 185.8
[M+HCOO]- 435.184481 209.8
[M+CH3COO]- 449.200131 206.3
[M+Na-2H]- 411.160946 198.8
[M]+ 390.18573142 196.3
[M]- 390.18682858 196.3
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