CID 59657596

920022-47-5

Structural Information

Molecular Formula
C25H28ClN3O2
SMILES
CN(C)CCN1C=C(C2=C1C=C(C=C2)Cl)C(=O)N3CCC4(CC3)C5=CC=CC=C5CO4
InChI
InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3
InChIKey
QZXVLRCMAHJVIP-UHFFFAOYSA-N
Compound name
[6-chloro-1-[2-(dimethylamino)ethyl]indol-3-yl]-spiro[1H-2-benzofuran-3,4'-piperidine]-1'-ylmethanone
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

25
Patents

437.187 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.19428 204.0
[M+Na]+ 460.17622 217.8
[M+NH4]+ 455.22082 213.9
[M+K]+ 476.15016 211.0
[M-H]- 436.17972 210.9
[M+Na-2H]- 458.16167 210.2
[M]+ 437.18645 208.4
[M]- 437.18755 208.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe