CID 22049997

Ph-797804

Structural Information

Molecular Formula
C22H19BrF2N2O3
SMILES
CC1=C(C=C(C=C1)C(=O)NC)N2C(=CC(=C(C2=O)Br)OCC3=C(C=C(C=C3)F)F)C
InChI
InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)
InChIKey
KCAJXIDMCNPGHZ-UHFFFAOYSA-N
Compound name
3-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxopyridin-1-yl]-N,4-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

43
References

442
Patents

476.05472 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 477.06200 204.5
[M+Na]+ 499.04394 216.8
[M-H]- 475.04744 213.5
[M+NH4]+ 494.08854 215.2
[M+K]+ 515.01788 203.3
[M+H-H2O]+ 459.05198 198.5
[M+HCOO]- 521.05292 221.9
[M+CH3COO]- 535.06857 236.0
[M+Na-2H]- 497.02939 203.6
[M]+ 476.05417 224.6
[M]- 476.05527 224.6
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

patents stripe