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]+ 291.12404 164.0
[M+Na]+ 313.10598 174.8
[M-H]- 289.10948 173.0
[M+NH4]+ 308.15058 178.4
[M+K]+ 329.07992 170.1
[M+H-H2O]+ 273.11402 154.4
[M+HCOO]- 335.11496 187.8
[M+CH3COO]- 349.13061 176.8
[M+Na-2H]- 311.09143 169.6
[M]+ 290.11621 167.5
[M]- 290.11731 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