CID 721044

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

Structural Information

Molecular Formula
C14H11ClN2O
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=C(C=CC(=C3)N)Cl
InChI
InChI=1S/C14H11ClN2O/c1-8-2-5-13-12(6-8)17-14(18-13)10-7-9(16)3-4-11(10)15/h2-7H,16H2,1H3
InChIKey
FIGIRGARTKWPOJ-UHFFFAOYSA-N
Compound name
4-chloro-3-(5-methyl-1,3-benzoxazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

14
Patents

258.056 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.06328 154.9
[M+Na]+ 281.04522 172.3
[M+NH4]+ 276.08982 164.8
[M+K]+ 297.01916 165.6
[M-H]- 257.04872 161.8
[M+Na-2H]- 279.03067 163.9
[M]+ 258.05545 159.9
[M]- 258.05655 159.9
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