CID 44819878

Chembl568175

Structural Information

Molecular Formula
C19H21N5O2
SMILES
CC1=CC(=CC(=C1)N2C3=C(C=N2)C(CCC3)NC(=O)C4=NON=C4C)C
InChI
InChI=1S/C19H21N5O2/c1-11-7-12(2)9-14(8-11)24-17-6-4-5-16(15(17)10-20-24)21-19(25)18-13(3)22-26-23-18/h7-10,16H,4-6H2,1-3H3,(H,21,25)
InChIKey
OMTKAZXXXFMWEA-UHFFFAOYSA-N
Compound name
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

351.16953 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17681 184.6
[M+Na]+ 374.15875 193.9
[M-H]- 350.16225 192.1
[M+NH4]+ 369.20335 195.3
[M+K]+ 390.13269 189.5
[M+H-H2O]+ 334.16679 174.4
[M+HCOO]- 396.16773 202.7
[M+CH3COO]- 410.18338 194.9
[M+Na-2H]- 372.14420 184.3
[M]+ 351.16898 187.2
[M]- 351.17008 187.2
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.