CID 16073228

Schembl2841658

Structural Information

Molecular Formula
C24H25FN2O4
SMILES
CNC(=O)C1=C(OC2=CC(=C(C=C21)OCC3CC3)N4CCOCC4)C5=CC=C(C=C5)F
InChI
InChI=1S/C24H25FN2O4/c1-26-24(28)22-18-12-21(30-14-15-2-3-15)19(27-8-10-29-11-9-27)13-20(18)31-23(22)16-4-6-17(25)7-5-16/h4-7,12-13,15H,2-3,8-11,14H2,1H3,(H,26,28)
InChIKey
LTYXHEAXMPJHPE-UHFFFAOYSA-N
Compound name
5-(cyclopropylmethoxy)-2-(4-fluorophenyl)-N-methyl-6-morpholin-4-yl-1-benzofuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

424.17984 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.18712 196.0
[M+Na]+ 447.16906 204.1
[M-H]- 423.17256 208.3
[M+NH4]+ 442.21366 199.7
[M+K]+ 463.14300 200.5
[M+H-H2O]+ 407.17710 185.9
[M+HCOO]- 469.17804 212.7
[M+CH3COO]- 483.19369 205.0
[M+Na-2H]- 445.15451 196.3
[M]+ 424.17929 199.9
[M]- 424.18039 199.9
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