CID 721049

3-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline

Structural Information

Molecular Formula
C15H14N2O
SMILES
CC1=CC2=C(C=C1C)OC(=N2)C3=CC(=CC=C3)N
InChI
InChI=1S/C15H14N2O/c1-9-6-13-14(7-10(9)2)18-15(17-13)11-4-3-5-12(16)8-11/h3-8H,16H2,1-2H3
InChIKey
GDDNDJMBEZZKGO-UHFFFAOYSA-N
Compound name
3-(5,6-dimethyl-1,3-benzoxazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

238.11061 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.117886 153.1
[M+Na]+ 261.099828 164.9
[M-H]- 237.103334 161.3
[M+NH4]+ 256.144433 171.3
[M+K]+ 277.073768 160.8
[M+H-H2O]+ 221.107870 145.9
[M+HCOO]- 283.108811 177.7
[M+CH3COO]- 297.124461 167.3
[M+Na-2H]- 259.085276 159.2
[M]+ 238.11006142 156.2
[M]- 238.11115858 156.2
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