CID 6459766

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

Structural Information

Molecular Formula
C14H12N2O
SMILES
CC1=CC(=CC=C1)C2=NC3=C(O2)C=C(C=C3)N
InChI
InChI=1S/C14H12N2O/c1-9-3-2-4-10(7-9)14-16-12-6-5-11(15)8-13(12)17-14/h2-8H,15H2,1H3
InChIKey
CIXYEVORGNXLAD-UHFFFAOYSA-N
Compound name
2-(3-methylphenyl)-1,3-benzoxazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
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 159.1
[M-H]- 223.08768 155.8
[M+NH4]+ 242.12878 166.4
[M+K]+ 263.05812 155.3
[M+H-H2O]+ 207.09222 140.6
[M+HCOO]- 269.09316 172.8
[M+CH3COO]- 283.10881 162.2
[M+Na-2H]- 245.06963 155.3
[M]+ 224.09441 150.2
[M]- 224.09551 150.2
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