CID 500957

Chembl368134

Structural Information

Molecular Formula
C23H22N2O4
SMILES
CC1=C(OC2=C1C(=CC=C2)OCCCNCC3=CN=CC=C3)C(=O)C4=CC=CO4
InChI
InChI=1S/C23H22N2O4/c1-16-21-18(27-13-5-11-25-15-17-6-3-10-24-14-17)7-2-8-19(21)29-23(16)22(26)20-9-4-12-28-20/h2-4,6-10,12,14,25H,5,11,13,15H2,1H3
InChIKey
RUYYBFFHEKQIGW-UHFFFAOYSA-N
Compound name
furan-2-yl-[3-methyl-4-[3-(pyridin-3-ylmethylamino)propoxy]-1-benzofuran-2-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

390.15796 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.16524 192.9
[M+Na]+ 413.14718 200.4
[M-H]- 389.15068 204.3
[M+NH4]+ 408.19178 204.1
[M+K]+ 429.12112 197.9
[M+H-H2O]+ 373.15522 184.4
[M+HCOO]- 435.15616 215.9
[M+CH3COO]- 449.17181 204.0
[M+Na-2H]- 411.13263 195.2
[M]+ 390.15741 200.7
[M]- 390.15851 200.7
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.