CID 9866050

Bimg80

Structural Information

Molecular Formula
C25H27FN2O2
SMILES
COC1=CC2=C(C=C1)NC=C2CC3=CCCN(C3)CCCC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C25H27FN2O2/c1-30-22-10-11-24-23(15-22)20(16-27-24)14-18-4-2-12-28(17-18)13-3-5-25(29)19-6-8-21(26)9-7-19/h4,6-11,15-16,27H,2-3,5,12-14,17H2,1H3
InChIKey
CIPFPNCFILKTBF-UHFFFAOYSA-N
Compound name
1-(4-fluorophenyl)-4-[5-[(5-methoxy-1H-indol-3-yl)methyl]-3,6-dihydro-2H-pyridin-1-yl]butan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

406.20566 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.21294 200.4
[M+Na]+ 429.19488 206.5
[M-H]- 405.19838 205.2
[M+NH4]+ 424.23948 210.0
[M+K]+ 445.16882 198.6
[M+H-H2O]+ 389.20292 188.6
[M+HCOO]- 451.20386 215.5
[M+CH3COO]- 465.21951 208.1
[M+Na-2H]- 427.18033 198.8
[M]+ 406.20511 199.7
[M]- 406.20621 199.7
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