CID 721026

3-(6-methyl-1,3-benzoxazol-2-yl)aniline

Structural Information

Molecular Formula
C14H12N2O
SMILES
CC1=CC2=C(C=C1)N=C(O2)C3=CC(=CC=C3)N
InChI
InChI=1S/C14H12N2O/c1-9-5-6-12-13(7-9)17-14(16-12)10-3-2-4-11(15)8-10/h2-8H,15H2,1H3
InChIKey
XTJYRJYREVBTAR-UHFFFAOYSA-N
Compound name
3-(6-methyl-1,3-benzoxazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
Patents

224.09496 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 147.9
[M+Na]+ 247.08418 164.1
[M+NH4]+ 242.12878 157.5
[M+K]+ 263.05812 158.2
[M-H]- 223.08768 154.8
[M+Na-2H]- 245.06963 157.2
[M]+ 224.09441 152.4
[M]- 224.09551 152.4
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