CID 3057810

Brn 5136687

Structural Information

Molecular Formula
C26H26N2O
SMILES
CC1=CC2=C(C=C1)C(=C(O2)CN3CCN(CC3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H26N2O/c1-20-12-13-23-24(18-20)29-25(26(23)21-8-4-2-5-9-21)19-27-14-16-28(17-15-27)22-10-6-3-7-11-22/h2-13,18H,14-17,19H2,1H3
InChIKey
SYYKYKCUOXPJGH-UHFFFAOYSA-N
Compound name
1-[(6-methyl-3-phenyl-1-benzofuran-2-yl)methyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.2045 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.21178 195.5
[M+Na]+ 405.19372 202.3
[M-H]- 381.19722 206.4
[M+NH4]+ 400.23832 204.9
[M+K]+ 421.16766 195.4
[M+H-H2O]+ 365.20176 183.3
[M+HCOO]- 427.20270 212.1
[M+CH3COO]- 441.21835 204.5
[M+Na-2H]- 403.17917 196.5
[M]+ 382.20395 194.0
[M]- 382.20505 194.0
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.