CID 44817920

Chembl567766

Structural Information

Molecular Formula
C19H17N5O2
SMILES
CC1=CC(=CC(=C1)N2C3=CC=CC(=C3C=N2)NC(=O)C4=NON=C4C)C
InChI
InChI=1S/C19H17N5O2/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/h4-10H,1-3H3,(H,21,25)
InChIKey
VSEMJQPLMUNBSC-UHFFFAOYSA-N
Compound name
N-[1-(3,5-dimethylphenyl)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

347.1382 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.14548 182.6
[M+Na]+ 370.12742 194.0
[M-H]- 346.13092 191.0
[M+NH4]+ 365.17202 193.6
[M+K]+ 386.10136 189.2
[M+H-H2O]+ 330.13546 172.5
[M+HCOO]- 392.13640 203.6
[M+CH3COO]- 406.15205 194.1
[M+Na-2H]- 368.11287 184.3
[M]+ 347.13765 188.0
[M]- 347.13875 188.0
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.