CID 3087340

1-benzhydryl-4-(2-(1-piperidinylmethyl)-2-propenyl)piperazine

Structural Information

Molecular Formula
C26H35N3
SMILES
C=C(CN1CCCCC1)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C26H35N3/c1-23(21-27-15-9-4-10-16-27)22-28-17-19-29(20-18-28)26(24-11-5-2-6-12-24)25-13-7-3-8-14-25/h2-3,5-8,11-14,26H,1,4,9-10,15-22H2
InChIKey
YNMBROXXVUCLLU-UHFFFAOYSA-N
Compound name
1-benzhydryl-4-[2-(piperidin-1-ylmethyl)prop-2-enyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

389.2831 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.29038 200.0
[M+Na]+ 412.27232 198.0
[M-H]- 388.27582 204.5
[M+NH4]+ 407.31692 204.7
[M+K]+ 428.24626 190.7
[M+H-H2O]+ 372.28036 185.6
[M+HCOO]- 434.28130 207.9
[M+CH3COO]- 448.29695 204.0
[M+Na-2H]- 410.25777 197.3
[M]+ 389.28255 188.7
[M]- 389.28365 188.7
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

patents stripe