CID 49768483

Schembl5319080

Structural Information

Molecular Formula
C17H14N4O
SMILES
CN1C2=C(C=C(C=C2)NC3=NC=C(O3)C4=CC=CC=C4)C=N1
InChI
InChI=1S/C17H14N4O/c1-21-15-8-7-14(9-13(15)10-19-21)20-17-18-11-16(22-17)12-5-3-2-4-6-12/h2-11H,1H3,(H,18,20)
InChIKey
JXJCQKLKUHRTIC-UHFFFAOYSA-N
Compound name
N-(1-methylindazol-5-yl)-5-phenyl-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

290.11676 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.124036 164.0
[M+Na]+ 313.105978 174.8
[M-H]- 289.109484 173.0
[M+NH4]+ 308.150583 178.4
[M+K]+ 329.079918 170.1
[M+H-H2O]+ 273.114020 154.4
[M+HCOO]- 335.114961 187.8
[M+CH3COO]- 349.130611 176.8
[M+Na-2H]- 311.091426 169.6
[M]+ 290.11621142 167.5
[M]- 290.11730858 167.5
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

patents stripe