CID 721030

5-(1,3-benzoxazol-2-yl)-2-methylaniline

Structural Information

Molecular Formula
C14H12N2O
SMILES
CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)N
InChI
InChI=1S/C14H12N2O/c1-9-6-7-10(8-11(9)15)14-16-12-4-2-3-5-13(12)17-14/h2-8H,15H2,1H3
InChIKey
KXXDLQRHCXWKCH-UHFFFAOYSA-N
Compound name
5-(1,3-benzoxazol-2-yl)-2-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

224.09496 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.102236 147.9
[M+Na]+ 247.084178 159.1
[M-H]- 223.087684 155.8
[M+NH4]+ 242.128783 166.4
[M+K]+ 263.058118 155.3
[M+H-H2O]+ 207.092220 140.6
[M+HCOO]- 269.093161 172.8
[M+CH3COO]- 283.108811 162.2
[M+Na-2H]- 245.069626 155.3
[M]+ 224.09441142 150.2
[M]- 224.09550858 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