CID 15991577

4-[(3r)-3-{[2-(4-fluorophenyl)-2-oxoethyl]amino}butyl]benzamide

Structural Information

Molecular Formula
C19H21FN2O2
SMILES
C[C@H](CCC1=CC=C(C=C1)C(=O)N)NCC(=O)C2=CC=C(C=C2)F
InChI
InChI=1S/C19H21FN2O2/c1-13(2-3-14-4-6-16(7-5-14)19(21)24)22-12-18(23)15-8-10-17(20)11-9-15/h4-11,13,22H,2-3,12H2,1H3,(H2,21,24)/t13-/m1/s1
InChIKey
OIWWNWQZJJKBTR-CYBMUJFWSA-N
Compound name
4-[(3R)-3-[[2-(4-fluorophenyl)-2-oxoethyl]amino]butyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

328.1587 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.16598 179.0
[M+Na]+ 351.14792 183.1
[M-H]- 327.15142 183.2
[M+NH4]+ 346.19252 191.5
[M+K]+ 367.12186 178.8
[M+H-H2O]+ 311.15596 169.4
[M+HCOO]- 373.15690 199.8
[M+CH3COO]- 387.17255 216.5
[M+Na-2H]- 349.13337 178.4
[M]+ 328.15815 176.6
[M]- 328.15925 176.6
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

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