CID 6457922

2-(2-methylphenyl)-1,3-benzoxazol-6-amine

Structural Information

Molecular Formula
C14H12N2O
SMILES
CC1=CC=CC=C1C2=NC3=C(O2)C=C(C=C3)N
InChI
InChI=1S/C14H12N2O/c1-9-4-2-3-5-11(9)14-16-12-7-6-10(15)8-13(12)17-14/h2-8H,15H2,1H3
InChIKey
XWTBDODSQMSQHT-UHFFFAOYSA-N
Compound name
2-(2-methylphenyl)-1,3-benzoxazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

No literature data available for this compound.

Patent stripe

patents stripe