CID 132209614

2166616-75-5

Structural Information

Molecular Formula
C23H25FN2O3
SMILES
C[C@H](C1=CC2=C(C=C1)N(CC2)C(=O)C3CCOCC3)NC(=O)C4=CC=C(C=C4)F
InChI
InChI=1S/C23H25FN2O3/c1-15(25-22(27)16-2-5-20(24)6-3-16)18-4-7-21-19(14-18)8-11-26(21)23(28)17-9-12-29-13-10-17/h2-7,14-15,17H,8-13H2,1H3,(H,25,27)/t15-/m1/s1
InChIKey
NUBWFWVVKLRSHS-OAHLLOKOSA-N
Compound name
4-fluoro-N-[(1R)-1-[1-(oxane-4-carbonyl)-2,3-dihydroindol-5-yl]ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

20
Patents

396.1849 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.19218 196.9
[M+Na]+ 419.17412 206.6
[M+NH4]+ 414.21872 203.0
[M+K]+ 435.14806 202.4
[M-H]- 395.17762 201.6
[M+Na-2H]- 417.15957 200.8
[M]+ 396.18435 199.3
[M]- 396.18545 199.3
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