CID 501340

Schembl7255625

Structural Information

Molecular Formula
C21H17F2N5O
SMILES
C1=CC=NC(=C1)CCNC2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3)C=NN4)F)F
InChI
InChI=1S/C21H17F2N5O/c22-17-11-18(23)20(25-8-6-14-3-1-2-7-24-14)10-16(17)21(29)27-15-5-4-13-12-26-28-19(13)9-15/h1-5,7,9-12,25H,6,8H2,(H,26,28)(H,27,29)
InChIKey
GFYDNWJBKIVCTG-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-6-yl)-5-(2-pyridin-2-ylethylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

393.1401 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.14738 188.9
[M+Na]+ 416.12932 197.4
[M-H]- 392.13282 192.7
[M+NH4]+ 411.17392 197.3
[M+K]+ 432.10326 188.6
[M+H-H2O]+ 376.13736 176.0
[M+HCOO]- 438.13830 207.9
[M+CH3COO]- 452.15395 197.4
[M+Na-2H]- 414.11477 192.9
[M]+ 393.13955 187.0
[M]- 393.14065 187.0
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