CID 120979

Brn 0842417

Structural Information

Molecular Formula
C22H25ClN2O2
SMILES
CC1=C(C2=C(O1)C=CC(=C2)OC)CCN3CCN(CC3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H25ClN2O2/c1-16-20(21-15-19(26-2)7-8-22(21)27-16)9-10-24-11-13-25(14-12-24)18-5-3-17(23)4-6-18/h3-8,15H,9-14H2,1-2H3
InChIKey
PTLSLDYJESMFCU-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-4-[2-(5-methoxy-2-methyl-1-benzofuran-3-yl)ethyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.16046 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.16774 194.8
[M+Na]+ 407.14968 203.6
[M-H]- 383.15318 203.0
[M+NH4]+ 402.19428 206.1
[M+K]+ 423.12362 197.4
[M+H-H2O]+ 367.15772 184.4
[M+HCOO]- 429.15866 207.2
[M+CH3COO]- 443.17431 204.5
[M+Na-2H]- 405.13513 194.8
[M]+ 384.15991 199.0
[M]- 384.16101 199.0
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.