CID 203661

Piperazine, 1-(3-(2-benzylinden-3-yl)propyl)-4-methyl-, oxalate (1:2)

Structural Information

Molecular Formula
C24H30N2
SMILES
CN1CCN(CC1)CCCC2=C(CC3=CC=CC=C32)CC4=CC=CC=C4
InChI
InChI=1S/C24H30N2/c1-25-14-16-26(17-15-25)13-7-12-24-22(18-20-8-3-2-4-9-20)19-21-10-5-6-11-23(21)24/h2-6,8-11H,7,12-19H2,1H3
InChIKey
VEVQCZYBZMGRNA-UHFFFAOYSA-N
Compound name
1-[3-(2-benzyl-3H-inden-1-yl)propyl]-4-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.2409 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.24818 190.1
[M+Na]+ 369.23012 204.8
[M+NH4]+ 364.27472 199.4
[M+K]+ 385.20406 195.7
[M-H]- 345.23362 196.8
[M+Na-2H]- 367.21557 198.3
[M]+ 346.24035 194.3
[M]- 346.24145 194.3
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

No patent data available for this compound.