CID 721050

2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline

Structural Information

Molecular Formula
C15H14N2O
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)N
InChI
InChI=1S/C15H14N2O/c1-9-3-6-14-13(7-9)17-15(18-14)11-5-4-10(2)12(16)8-11/h3-8H,16H2,1-2H3
InChIKey
ADAAURXAJSQCKI-UHFFFAOYSA-N
Compound name
2-methyl-5-(5-methyl-1,3-benzoxazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
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

literature stripe

Patent stripe

patents stripe