CID 44819181

Chembl576246

Structural Information

Molecular Formula
C17H18N6O2
SMILES
CC1=NON=C1C(=O)NC2CCCC3=C2C=NN3C4=CC=C(C=C4)N
InChI
InChI=1S/C17H18N6O2/c1-10-16(22-25-21-10)17(24)20-14-3-2-4-15-13(14)9-19-23(15)12-7-5-11(18)6-8-12/h5-9,14H,2-4,18H2,1H3,(H,20,24)
InChIKey
IMEVNTFQVFKCSI-UHFFFAOYSA-N
Compound name
N-[1-(4-aminophenyl)-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

338.1491 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15638 177.2
[M+Na]+ 361.13832 185.6
[M-H]- 337.14182 184.3
[M+NH4]+ 356.18292 187.6
[M+K]+ 377.11226 181.4
[M+H-H2O]+ 321.14636 166.8
[M+HCOO]- 383.14730 196.6
[M+CH3COO]- 397.16295 187.4
[M+Na-2H]- 359.12377 178.9
[M]+ 338.14855 177.3
[M]- 338.14965 177.3
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.