CID 5326869

3-fluoro-5-morpholin-4-yl-n-[1-(2-pyridin-4-ylethyl)-1h-indol-6-yl]benzamide

Structural Information

Molecular Formula
C26H25FN4O2
SMILES
C1COCCN1C2=CC(=CC(=C2)C(=O)NC3=CC4=C(C=C3)C=CN4CCC5=CC=NC=C5)F
InChI
InChI=1S/C26H25FN4O2/c27-22-15-21(16-24(17-22)30-11-13-33-14-12-30)26(32)29-23-2-1-20-6-10-31(25(20)18-23)9-5-19-3-7-28-8-4-19/h1-4,6-8,10,15-18H,5,9,11-14H2,(H,29,32)
InChIKey
CPFBZMFUCGHBAP-UHFFFAOYSA-N
Compound name
3-fluoro-5-morpholin-4-yl-N-[1-(2-pyridin-4-ylethyl)indol-6-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

444.19617 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.20345 207.3
[M+Na]+ 467.18539 212.9
[M-H]- 443.18889 215.6
[M+NH4]+ 462.22999 212.2
[M+K]+ 483.15933 206.0
[M+H-H2O]+ 427.19343 193.2
[M+HCOO]- 489.19437 221.9
[M+CH3COO]- 503.21002 214.2
[M+Na-2H]- 465.17084 207.8
[M]+ 444.19562 205.0
[M]- 444.19672 205.0
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