CID 614385

2-(4-aminophenyl)benzoxazol-5-amine

Structural Information

Molecular Formula
C13H11N3O
SMILES
C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)N)N
InChI
InChI=1S/C13H11N3O/c14-9-3-1-8(2-4-9)13-16-11-7-10(15)5-6-12(11)17-13/h1-7H,14-15H2
InChIKey
UMGYJGHIMRFYSP-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

1508
Patents

225.09021 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 147.2
[M+Na]+ 248.07943 158.0
[M-H]- 224.08293 154.7
[M+NH4]+ 243.12403 164.9
[M+K]+ 264.05337 154.0
[M+H-H2O]+ 208.08747 139.7
[M+HCOO]- 270.08841 172.8
[M+CH3COO]- 284.10406 161.1
[M+Na-2H]- 246.06488 154.7
[M]+ 225.08966 147.6
[M]- 225.09076 147.6
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