CID 5326868

3-fluoro-5-morpholin-4-yl-n-[3-(2-pyridin-4-ylethyl)-1h-indol-5-yl]benzamide

Structural Information

Molecular Formula
C26H25FN4O2
SMILES
C1COCCN1C2=CC(=CC(=C2)C(=O)NC3=CC4=C(C=C3)NC=C4CCC5=CC=NC=C5)F
InChI
InChI=1S/C26H25FN4O2/c27-21-13-20(14-23(15-21)31-9-11-33-12-10-31)26(32)30-22-3-4-25-24(16-22)19(17-29-25)2-1-18-5-7-28-8-6-18/h3-8,13-17,29H,1-2,9-12H2,(H,30,32)
InChIKey
HIUFYIOMUILESI-UHFFFAOYSA-N
Compound name
3-fluoro-5-morpholin-4-yl-N-[3-(2-pyridin-4-ylethyl)-1H-indol-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

444.19617 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.20345 206.4
[M+Na]+ 467.18539 211.6
[M-H]- 443.18889 213.5
[M+NH4]+ 462.22999 210.6
[M+K]+ 483.15933 203.9
[M+H-H2O]+ 427.19343 192.7
[M+HCOO]- 489.19437 219.6
[M+CH3COO]- 503.21002 212.8
[M+Na-2H]- 465.17084 206.7
[M]+ 444.19562 202.5
[M]- 444.19672 202.5
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