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 153.1
[M+Na]+ 261.09983 164.9
[M-H]- 237.10333 161.3
[M+NH4]+ 256.14443 171.3
[M+K]+ 277.07377 160.8
[M+H-H2O]+ 221.10787 145.9
[M+HCOO]- 283.10881 177.7
[M+CH3COO]- 297.12446 167.3
[M+Na-2H]- 259.08528 159.2
[M]+ 238.11006 156.2
[M]- 238.11116 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