CID 9931329

Cj-13454

Structural Information

Molecular Formula
C23H24FN3O3
SMILES
CC1=NC=CN1C2=CC=C(C=C2)COC3=CC(=CC(=C3)C4(CCOCC4)C(=O)N)F
InChI
InChI=1S/C23H24FN3O3/c1-16-26-8-9-27(16)20-4-2-17(3-5-20)15-30-21-13-18(12-19(24)14-21)23(22(25)28)6-10-29-11-7-23/h2-5,8-9,12-14H,6-7,10-11,15H2,1H3,(H2,25,28)
InChIKey
WOTAALFHBLLBGH-UHFFFAOYSA-N
Compound name
4-[3-fluoro-5-[[4-(2-methylimidazol-1-yl)phenyl]methoxy]phenyl]oxane-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

40
Patents

409.18018 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18746 198.2
[M+Na]+ 432.16940 203.9
[M-H]- 408.17290 207.0
[M+NH4]+ 427.21400 207.0
[M+K]+ 448.14334 199.5
[M+H-H2O]+ 392.17744 186.0
[M+HCOO]- 454.17838 214.1
[M+CH3COO]- 468.19403 206.4
[M+Na-2H]- 430.15485 197.1
[M]+ 409.17963 195.5
[M]- 409.18073 195.5
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