CID 44817747

Chembl566480

Structural Information

Molecular Formula
C21H21N5O2
SMILES
CC1=NON=C1C(=O)NC2=C3C=NN(C3=CC=C2)C4=CC=C(C=C4)C(C)(C)C
InChI
InChI=1S/C21H21N5O2/c1-13-19(25-28-24-13)20(27)23-17-6-5-7-18-16(17)12-22-26(18)15-10-8-14(9-11-15)21(2,3)4/h5-12H,1-4H3,(H,23,27)
InChIKey
CSYNONRKENQQDL-UHFFFAOYSA-N
Compound name
N-[1-(4-tert-butylphenyl)indazol-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.16953 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.17681 192.0
[M+Na]+ 398.15875 201.8
[M-H]- 374.16225 200.1
[M+NH4]+ 393.20335 201.7
[M+K]+ 414.13269 197.4
[M+H-H2O]+ 358.16679 182.1
[M+HCOO]- 420.16773 210.6
[M+CH3COO]- 434.18338 202.4
[M+Na-2H]- 396.14420 194.5
[M]+ 375.16898 197.0
[M]- 375.17008 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.