CID 501345

Schembl7261177

Structural Information

Molecular Formula
C20H18F2N6O
SMILES
C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3F)F)NCCCN4C=CN=C4)C=NN2
InChI
InChI=1S/C20H18F2N6O/c21-16-10-17(22)19(24-4-1-6-28-7-5-23-12-28)9-15(16)20(29)26-14-2-3-18-13(8-14)11-25-27-18/h2-3,5,7-12,24H,1,4,6H2,(H,25,27)(H,26,29)
InChIKey
LZJAURHUWSWGIK-UHFFFAOYSA-N
Compound name
2,4-difluoro-5-(3-imidazol-1-ylpropylamino)-N-(1H-indazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

396.151 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.15828 187.1
[M+Na]+ 419.14022 195.7
[M-H]- 395.14372 190.4
[M+NH4]+ 414.18482 196.1
[M+K]+ 435.11416 187.6
[M+H-H2O]+ 379.14826 174.5
[M+HCOO]- 441.14920 206.1
[M+CH3COO]- 455.16485 195.7
[M+Na-2H]- 417.12567 188.9
[M]+ 396.15045 186.5
[M]- 396.15155 186.5
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

No patent data available for this compound.