CID 721059

2-phenyl-1,3-benzoxazol-5-amine

Structural Information

Molecular Formula
C13H10N2O
SMILES
C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N
InChI
InChI=1S/C13H10N2O/c14-10-6-7-12-11(8-10)15-13(16-12)9-4-2-1-3-5-9/h1-8H,14H2
InChIKey
SUOXXPHZWVBJSY-UHFFFAOYSA-N
Compound name
2-phenyl-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

138
Patents

210.07932 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.086596 142.6
[M+Na]+ 233.068538 153.3
[M-H]- 209.072044 150.2
[M+NH4]+ 228.113143 161.3
[M+K]+ 249.042478 149.7
[M+H-H2O]+ 193.076580 135.2
[M+HCOO]- 255.077521 167.8
[M+CH3COO]- 269.093171 157.0
[M+Na-2H]- 231.053986 151.3
[M]+ 210.07877142 144.1
[M]- 210.07986858 144.1
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

patents stripe