CID 5326870

3-fluoro-n-1h-indol-5-yl-5-morpholin-4-ylbenzamide

Structural Information

Molecular Formula
C19H18FN3O2
SMILES
C1COCCN1C2=CC(=CC(=C2)C(=O)NC3=CC4=C(C=C3)NC=C4)F
InChI
InChI=1S/C19H18FN3O2/c20-15-9-14(11-17(12-15)23-5-7-25-8-6-23)19(24)22-16-1-2-18-13(10-16)3-4-21-18/h1-4,9-12,21H,5-8H2,(H,22,24)
InChIKey
VMLSXFMXUNVCSK-UHFFFAOYSA-N
Compound name
3-fluoro-N-(1H-indol-5-yl)-5-morpholin-4-ylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

339.1383 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.14558 177.2
[M+Na]+ 362.12752 183.7
[M-H]- 338.13102 183.1
[M+NH4]+ 357.17212 187.8
[M+K]+ 378.10146 178.2
[M+H-H2O]+ 322.13556 166.4
[M+HCOO]- 384.13650 193.3
[M+CH3COO]- 398.15215 186.5
[M+Na-2H]- 360.11297 179.9
[M]+ 339.13775 172.9
[M]- 339.13885 172.9
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