CID 156596422

Chembl4802251

Structural Information

Molecular Formula
C24H29F2N5O3
SMILES
CC(C)(C)N1C2=CC(=C(C=C2C=N1)OC3=C(C=C(C=C3)F)F)C(=O)N[C@@H](CCN(C)C)C(=O)N
InChI
InChI=1S/C24H29F2N5O3/c1-24(2,3)31-19-12-16(23(33)29-18(22(27)32)8-9-30(4)5)21(10-14(19)13-28-31)34-20-7-6-15(25)11-17(20)26/h6-7,10-13,18H,8-9H2,1-5H3,(H2,27,32)(H,29,33)/t18-/m0/s1
InChIKey
GHTYIKRPXXXLDM-SFHVURJKSA-N
Compound name
N-[(2S)-1-amino-4-(dimethylamino)-1-oxobutan-2-yl]-1-tert-butyl-5-(2,4-difluorophenoxy)indazole-6-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

473.22385 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.23113 215.1
[M+Na]+ 496.21307 221.0
[M-H]- 472.21657 219.3
[M+NH4]+ 491.25767 222.9
[M+K]+ 512.18701 217.7
[M+H-H2O]+ 456.22111 203.8
[M+HCOO]- 518.22205 232.4
[M+CH3COO]- 532.23770 249.8
[M+Na-2H]- 494.19852 213.0
[M]+ 473.22330 218.1
[M]- 473.22440 218.1
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

No patent data available for this compound.