CID 6446863

Brn 0585540

Structural Information

Molecular Formula
C32H44N2
SMILES
CC(=CCC/C(=C/CC/C(=C/CN1CCN(CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)/C)/C)C
InChI
InChI=1S/C32H44N2/c1-27(2)13-11-14-28(3)15-12-16-29(4)21-22-33-23-25-34(26-24-33)32(30-17-7-5-8-18-30)31-19-9-6-10-20-31/h5-10,13,15,17-21,32H,11-12,14,16,22-26H2,1-4H3/b28-15+,29-21+
InChIKey
XMOWVLHMFJIWSB-LPHIZMPDSA-N
Compound name
1-benzhydryl-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

456.35046 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.35774 222.3
[M+Na]+ 479.33968 219.9
[M-H]- 455.34318 225.3
[M+NH4]+ 474.38428 226.6
[M+K]+ 495.31362 211.5
[M+H-H2O]+ 439.34772 209.6
[M+HCOO]- 501.34866 231.2
[M+CH3COO]- 515.36431 237.5
[M+Na-2H]- 477.32513 215.0
[M]+ 456.34991 216.9
[M]- 456.35101 216.9
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.