CID 501335

Schembl7255709

Structural Information

Molecular Formula
C16H14F2N4O2
SMILES
C1=CC2=C(C=C1NC(=O)C3=CC(=C(C=C3F)F)NCCO)C=NN2
InChI
InChI=1S/C16H14F2N4O2/c17-12-7-13(18)15(19-3-4-23)6-11(12)16(24)21-10-1-2-14-9(5-10)8-20-22-14/h1-2,5-8,19,23H,3-4H2,(H,20,22)(H,21,24)
InChIKey
SGBDTRVSFWQERL-UHFFFAOYSA-N
Compound name
2,4-difluoro-5-(2-hydroxyethylamino)-N-(1H-indazol-5-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

332.1085 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.11578 171.2
[M+Na]+ 355.09772 180.1
[M-H]- 331.10122 172.2
[M+NH4]+ 350.14232 183.4
[M+K]+ 371.07166 173.3
[M+H-H2O]+ 315.10576 160.8
[M+HCOO]- 377.10670 190.8
[M+CH3COO]- 391.12235 209.7
[M+Na-2H]- 353.08317 175.0
[M]+ 332.10795 169.1
[M]- 332.10905 169.1
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