CID 721074

2-(4-ethylphenyl)-1,3-benzoxazol-5-amine

Structural Information

Molecular Formula
C15H14N2O
SMILES
CCC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N
InChI
InChI=1S/C15H14N2O/c1-2-10-3-5-11(6-4-10)15-17-13-9-12(16)7-8-14(13)18-15/h3-9H,2,16H2,1H3
InChIKey
FKDOOGCZVMKBIT-UHFFFAOYSA-N
Compound name
2-(4-ethylphenyl)-1,3-benzoxazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

29
Patents

238.11061 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11789 152.7
[M+Na]+ 261.09983 163.4
[M-H]- 237.10333 160.3
[M+NH4]+ 256.14443 170.5
[M+K]+ 277.07377 159.4
[M+H-H2O]+ 221.10787 145.1
[M+HCOO]- 283.10881 177.2
[M+CH3COO]- 297.12446 166.5
[M+Na-2H]- 259.08528 159.5
[M]+ 238.11006 155.3
[M]- 238.11116 155.3
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