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

7
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 169.0
[M+NH4]+ 256.14443 162.1
[M+K]+ 277.07377 163.1
[M-H]- 237.10333 159.5
[M+Na-2H]- 259.08528 161.4
[M]+ 238.11006 157.2
[M]- 238.11116 157.2
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