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 188.9
[M+Na]+ 369.23012 193.3
[M-H]- 345.23362 195.2
[M+NH4]+ 364.27472 201.5
[M+K]+ 385.20406 185.9
[M+H-H2O]+ 329.23816 177.5
[M+HCOO]- 391.23910 204.6
[M+CH3COO]- 405.25475 197.2
[M+Na-2H]- 367.21557 188.4
[M]+ 346.24035 185.8
[M]- 346.24145 185.8
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.