CID 90997

23892-50-4

Structural Information

Molecular Formula
C21H29N3
SMILES
CN1CCN(CC1)CCNC(CC2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H29N3/c1-23-14-16-24(17-15-23)13-12-22-21(20-10-6-3-7-11-20)18-19-8-4-2-5-9-19/h2-11,21-22H,12-18H2,1H3
InChIKey
DMNHKFGNEACKMZ-UHFFFAOYSA-N
Compound name
N-[2-(4-methylpiperazin-1-yl)ethyl]-1,2-diphenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.23615 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.24343 180.9
[M+Na]+ 346.22537 182.3
[M-H]- 322.22887 185.6
[M+NH4]+ 341.26997 190.8
[M+K]+ 362.19931 176.5
[M+H-H2O]+ 306.23341 169.2
[M+HCOO]- 368.23435 197.2
[M+CH3COO]- 382.25000 188.5
[M+Na-2H]- 344.21082 183.4
[M]+ 323.23560 175.4
[M]- 323.23670 175.4
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.