CID 9822240

Rwj-51204

Structural Information

Molecular Formula
C21H19F2N3O3
SMILES
CCOCN1C2=C(C=CC(=C2)F)N3C1=C(C(=O)CC3)C(=O)NC4=CC=CC=C4F
InChI
InChI=1S/C21H19F2N3O3/c1-2-29-12-26-17-11-13(22)7-8-16(17)25-10-9-18(27)19(21(25)26)20(28)24-15-6-4-3-5-14(15)23/h3-8,11H,2,9-10,12H2,1H3,(H,24,28)
InChIKey
VQOQDABVGWLROX-UHFFFAOYSA-N
Compound name
5-(ethoxymethyl)-7-fluoro-N-(2-fluorophenyl)-3-oxo-1,2-dihydropyrido[1,2-a]benzimidazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

399.13943 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.14671 193.6
[M+Na]+ 422.12865 202.0
[M-H]- 398.13215 197.0
[M+NH4]+ 417.17325 205.5
[M+K]+ 438.10259 195.7
[M+H-H2O]+ 382.13669 182.1
[M+HCOO]- 444.13763 208.8
[M+CH3COO]- 458.15328 226.6
[M+Na-2H]- 420.11410 193.1
[M]+ 399.13888 193.2
[M]- 399.13998 193.2
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