CID 501341

2,4-difluoro-n-(1h-6-indazolyl)-5-(methyl-2-(2-pyridyl)ethyl)aminobenzamide

Structural Information

Molecular Formula
C22H19F2N5O
SMILES
CC(CC1=CC=CC=N1)NC2=C(C=C(C(=C2)C(=O)NC3=CC4=C(C=C3)C=NN4)F)F
InChI
InChI=1S/C22H19F2N5O/c1-13(8-15-4-2-3-7-25-15)27-21-10-17(18(23)11-19(21)24)22(30)28-16-6-5-14-12-26-29-20(14)9-16/h2-7,9-13,27H,8H2,1H3,(H,26,29)(H,28,30)
InChIKey
IQXLQCBAMKESHB-UHFFFAOYSA-N
Compound name
2,4-difluoro-N-(1H-indazol-6-yl)-5-(1-pyridin-2-ylpropan-2-ylamino)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.15576 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.16304 193.7
[M+Na]+ 430.14498 201.3
[M-H]- 406.14848 197.4
[M+NH4]+ 425.18958 201.4
[M+K]+ 446.11892 193.0
[M+H-H2O]+ 390.15302 180.8
[M+HCOO]- 452.15396 211.3
[M+CH3COO]- 466.16961 201.6
[M+Na-2H]- 428.13043 196.1
[M]+ 407.15521 191.5
[M]- 407.15631 191.5
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.