CID 121241171

Sbi-756

Structural Information

Molecular Formula
C23H14ClFN2O2
SMILES
C1=CC=C(C=C1)C2=C(C(=O)NC3=C2C=C(C=C3)Cl)C(=O)/C=C/C4=CC(=CN=C4)F
InChI
InChI=1S/C23H14ClFN2O2/c24-16-7-8-19-18(11-16)21(15-4-2-1-3-5-15)22(23(29)27-19)20(28)9-6-14-10-17(25)13-26-12-14/h1-13H,(H,27,29)/b9-6+
InChIKey
VVWGPQZBDQVQRC-RMKNXTFCSA-N
Compound name
6-chloro-3-[(E)-3-(5-fluoropyridin-3-yl)prop-2-enoyl]-4-phenyl-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

11
Patents

404.07278 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.08006 194.7
[M+Na]+ 427.06200 205.1
[M-H]- 403.06550 200.0
[M+NH4]+ 422.10660 203.4
[M+K]+ 443.03594 194.8
[M+H-H2O]+ 387.07004 182.8
[M+HCOO]- 449.07098 206.6
[M+CH3COO]- 463.08663 203.4
[M+Na-2H]- 425.04745 197.0
[M]+ 404.07223 195.2
[M]- 404.07333 195.2
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