CID 10339974

Schembl2836533

Structural Information

Molecular Formula
C21H21FN2O4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OC)N3CCOCC3)C4=CC=C(C=C4)F
InChI
InChI=1S/C21H21FN2O4/c1-23-21(25)19-15-11-18(26-2)16(24-7-9-27-10-8-24)12-17(15)28-20(19)13-3-5-14(22)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,23,25)
InChIKey
UFKWZRJTFCEGBY-UHFFFAOYSA-N
Compound name
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-morpholin-4-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

384.14853 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15581 191.3
[M+Na]+ 407.13775 198.9
[M-H]- 383.14125 201.0
[M+NH4]+ 402.18235 201.2
[M+K]+ 423.11169 196.5
[M+H-H2O]+ 367.14579 181.0
[M+HCOO]- 429.14673 208.7
[M+CH3COO]- 443.16238 201.3
[M+Na-2H]- 405.12320 192.4
[M]+ 384.14798 193.1
[M]- 384.14908 193.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe