CID 115699

64036-67-5

Structural Information

Molecular Formula
C35H36N2O2
SMILES
C1CC2=CC=CC=C2C3(C4=CC=CC=C41)OCC(O3)CN5CCN(CC5)C(C6=CC=CC=C6)C7=CC=CC=C7
InChI
InChI=1S/C35H36N2O2/c1-3-13-29(14-4-1)34(30-15-5-2-6-16-30)37-23-21-36(22-24-37)25-31-26-38-35(39-31)32-17-9-7-11-27(32)19-20-28-12-8-10-18-33(28)35/h1-18,31,34H,19-26H2
InChIKey
BGZVRUYRCBLFEU-UHFFFAOYSA-N
Compound name
1-benzhydryl-4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

516.27765 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 517.28493 240.1
[M+Na]+ 539.26687 254.0
[M+NH4]+ 534.31147 249.0
[M+K]+ 555.24081 243.9
[M-H]- 515.27037 251.4
[M+Na-2H]- 537.25232 247.5
[M]+ 516.27710 245.8
[M]- 516.27820 245.8
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.