CID 459106

N-(4-nitrophenyl)-1,3-benzoxazol-2-amine

Structural Information

Molecular Formula
C13H9N3O3
SMILES
C1=CC=C2C(=C1)N=C(O2)NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O3/c17-16(18)10-7-5-9(6-8-10)14-13-15-11-3-1-2-4-12(11)19-13/h1-8H,(H,14,15)
InChIKey
VITGTHQUYHJKCN-UHFFFAOYSA-N
Compound name
N-(4-nitrophenyl)-1,3-benzoxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

255.06439 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.07167 150.8
[M+Na]+ 278.05361 159.0
[M-H]- 254.05711 158.7
[M+NH4]+ 273.09821 166.4
[M+K]+ 294.02755 152.3
[M+H-H2O]+ 238.06165 147.1
[M+HCOO]- 300.06259 177.4
[M+CH3COO]- 314.07824 189.8
[M+Na-2H]- 276.03906 162.1
[M]+ 255.06384 151.7
[M]- 255.06494 151.7
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

No patent data available for this compound.