CID 43491

60842-44-6

Structural Information

Molecular Formula
C25H31NO3
SMILES
CCC(CC)(COC1=C(OC2=C1C=CC(=C2)OC)C3=CC=CC=C3)N4CCCC4
InChI
InChI=1S/C25H31NO3/c1-4-25(5-2,26-15-9-10-16-26)18-28-24-21-14-13-20(27-3)17-22(21)29-23(24)19-11-7-6-8-12-19/h6-8,11-14,17H,4-5,9-10,15-16,18H2,1-3H3
InChIKey
UPZMIXQNJVHVJO-UHFFFAOYSA-N
Compound name
1-[3-[(6-methoxy-2-phenyl-1-benzofuran-3-yl)oxymethyl]pentan-3-yl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

393.2304 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.23768 198.2
[M+Na]+ 416.21962 204.2
[M-H]- 392.22312 208.1
[M+NH4]+ 411.26422 211.2
[M+K]+ 432.19356 200.6
[M+H-H2O]+ 376.22766 189.9
[M+HCOO]- 438.22860 216.7
[M+CH3COO]- 452.24425 221.1
[M+Na-2H]- 414.20507 198.4
[M]+ 393.22985 203.3
[M]- 393.23095 203.3
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.