CID 11742411

Dir26v4txj

Structural Information

Molecular Formula
C23H25FN2O4
SMILES
CC(=O)C1=CC(=C(C=C1)OCCCN2CCC(CC2)C3=NOC4=C3C=CC(=C4)F)O
InChI
InChI=1S/C23H25FN2O4/c1-15(27)17-3-6-21(20(28)13-17)29-12-2-9-26-10-7-16(8-11-26)23-19-5-4-18(24)14-22(19)30-25-23/h3-6,13-14,16,28H,2,7-12H2,1H3
InChIKey
JRAOALKNNYGKLE-UHFFFAOYSA-N
Compound name
1-[4-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]-3-hydroxyphenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

204
Patents

412.17984 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18712 199.2
[M+Na]+ 435.16906 205.9
[M-H]- 411.17256 205.1
[M+NH4]+ 430.21366 207.3
[M+K]+ 451.14300 201.1
[M+H-H2O]+ 395.17710 187.9
[M+HCOO]- 457.17804 213.0
[M+CH3COO]- 471.19369 207.4
[M+Na-2H]- 433.15451 197.7
[M]+ 412.17929 200.4
[M]- 412.18039 200.4
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

No patent data available for this compound.