CID 90998

23892-51-5

Structural Information

Molecular Formula
C28H35N3
SMILES
CC1=CC(=CC=C1)CN2CCN(CC2)CCNC(CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C28H35N3/c1-24-9-8-12-26(21-24)23-31-19-17-30(18-20-31)16-15-29-28(27-13-6-3-7-14-27)22-25-10-4-2-5-11-25/h2-14,21,28-29H,15-20,22-23H2,1H3
InChIKey
JYMVEUDWEZLGIF-UHFFFAOYSA-N
Compound name
N-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,2-diphenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.2831 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.29038 205.3
[M+Na]+ 436.27232 205.6
[M-H]- 412.27582 212.3
[M+NH4]+ 431.31692 210.8
[M+K]+ 452.24626 197.6
[M+H-H2O]+ 396.28036 191.4
[M+HCOO]- 458.28130 220.1
[M+CH3COO]- 472.29695 210.8
[M+Na-2H]- 434.25777 205.7
[M]+ 413.28255 199.5
[M]- 413.28365 199.5
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.