CID 44820402

Chembl567752

Structural Information

Molecular Formula
C18H19N5O3
SMILES
CC1=NON=C1C(=O)NC2CCCC3=C2C=NN3C4=CC=C(C=C4)OC
InChI
InChI=1S/C18H19N5O3/c1-11-17(22-26-21-11)18(24)20-15-4-3-5-16-14(15)10-19-23(16)12-6-8-13(25-2)9-7-12/h6-10,15H,3-5H2,1-2H3,(H,20,24)
InChIKey
QVMAZPPRIYRPAO-UHFFFAOYSA-N
Compound name
N-[1-(4-methoxyphenyl)-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

353.1488 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.15608 181.1
[M+Na]+ 376.13802 189.7
[M-H]- 352.14152 188.5
[M+NH4]+ 371.18262 191.3
[M+K]+ 392.11196 186.2
[M+H-H2O]+ 336.14606 170.7
[M+HCOO]- 398.14700 199.8
[M+CH3COO]- 412.16265 191.4
[M+Na-2H]- 374.12347 182.4
[M]+ 353.14825 184.3
[M]- 353.14935 184.3
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.