CID 44819180

Chembl585676

Structural Information

Molecular Formula
C20H24N6O2
SMILES
CC1=NON=C1C(=O)NC2CCCC3=C2C=NN3C4=CC=C(C=C4)NC(C)C
InChI
InChI=1S/C20H24N6O2/c1-12(2)22-14-7-9-15(10-8-14)26-18-6-4-5-17(16(18)11-21-26)23-20(27)19-13(3)24-28-25-19/h7-12,17,22H,4-6H2,1-3H3,(H,23,27)
InChIKey
LMBAOVZSTQPJJK-UHFFFAOYSA-N
Compound name
4-methyl-N-[1-[4-(propan-2-ylamino)phenyl]-4,5,6,7-tetrahydroindazol-4-yl]-1,2,5-oxadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

380.19608 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.20336 190.4
[M+Na]+ 403.18530 197.0
[M-H]- 379.18880 197.6
[M+NH4]+ 398.22990 199.2
[M+K]+ 419.15924 193.1
[M+H-H2O]+ 363.19334 179.7
[M+HCOO]- 425.19428 208.3
[M+CH3COO]- 439.20993 199.4
[M+Na-2H]- 401.17075 190.5
[M]+ 380.19553 191.8
[M]- 380.19663 191.8
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.