CID 350189

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

Structural Information

Molecular Formula
C14H12N2O
SMILES
CC1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H12N2O/c1-9-2-7-13-12(8-9)16-14(17-13)10-3-5-11(15)6-4-10/h2-8H,15H2,1H3
InChIKey
TZIKYKSWQZSLOO-UHFFFAOYSA-N
Compound name
4-(5-methyl-1,3-benzoxazol-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

55
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

literature stripe

Patent stripe

patents stripe