CID 501354

Schembl7261200

Structural Information

Molecular Formula
C19H18F2N4O2
SMILES
C1CN(CCC1O)C2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3)NN=C4)F)F
InChI
InChI=1S/C19H18F2N4O2/c20-15-9-16(21)18(25-5-3-13(26)4-6-25)8-14(15)19(27)23-12-1-2-17-11(7-12)10-22-24-17/h1-2,7-10,13,26H,3-6H2,(H,22,24)(H,23,27)
InChIKey
LICPAESEFYOUIL-UHFFFAOYSA-N
Compound name
2,4-difluoro-5-(4-hydroxypiperidin-1-yl)-N-(1H-indazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

372.13977 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14705 185.0
[M+Na]+ 395.12899 192.6
[M-H]- 371.13249 187.0
[M+NH4]+ 390.17359 193.9
[M+K]+ 411.10293 184.6
[M+H-H2O]+ 355.13703 173.0
[M+HCOO]- 417.13797 198.0
[M+CH3COO]- 431.15362 192.7
[M+Na-2H]- 393.11444 184.9
[M]+ 372.13922 178.7
[M]- 372.14032 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe