CID 501352

Schembl7255635

Structural Information

Molecular Formula
C19H19F2N5O
SMILES
CN1CCN(CC1)C2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3)NN=C4)F)F
InChI
InChI=1S/C19H19F2N5O/c1-25-4-6-26(7-5-25)18-9-14(15(20)10-16(18)21)19(27)23-13-2-3-17-12(8-13)11-22-24-17/h2-3,8-11H,4-7H2,1H3,(H,22,24)(H,23,27)
InChIKey
HPFQAJQWLLYVOP-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-5-yl)-5-(4-methylpiperazin-1-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

371.15576 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.16304 187.4
[M+Na]+ 394.14498 195.7
[M-H]- 370.14848 189.4
[M+NH4]+ 389.18958 195.8
[M+K]+ 410.11892 187.4
[M+H-H2O]+ 354.15302 174.4
[M+HCOO]- 416.15396 200.3
[M+CH3COO]- 430.16961 195.1
[M+Na-2H]- 392.13043 187.5
[M]+ 371.15521 182.0
[M]- 371.15631 182.0
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