CID 202903

13480-29-0

Structural Information

Molecular Formula
C24H26N2
SMILES
CC1=C(C=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H26N2/c1-20-12-13-23(18-24(20)22-10-6-3-7-11-22)26-16-14-25(15-17-26)19-21-8-4-2-5-9-21/h2-13,18H,14-17,19H2,1H3
InChIKey
SPHZTIYBNUKXLD-UHFFFAOYSA-N
Compound name
1-benzyl-4-(4-methyl-3-phenylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

342.2096 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.21688 186.9
[M+Na]+ 365.19882 191.3
[M-H]- 341.20232 195.1
[M+NH4]+ 360.24342 196.2
[M+K]+ 381.17276 183.6
[M+H-H2O]+ 325.20686 174.0
[M+HCOO]- 387.20780 203.0
[M+CH3COO]- 401.22345 195.1
[M+Na-2H]- 363.18427 188.9
[M]+ 342.20905 181.3
[M]- 342.21015 181.3
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