CID 43935

Beta-methyl-2-phenyl-6-benzoxazoleethylamine hemisuccinate

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC(CN)C1=CC2=C(C=C1)N=C(O2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O/c1-11(10-17)13-7-8-14-15(9-13)19-16(18-14)12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3
InChIKey
RTRXXIXNEUWMAK-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1,3-benzoxazol-6-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.12627 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 157.4
[M+Na]+ 275.11549 172.4
[M+NH4]+ 270.16009 166.5
[M+K]+ 291.08943 166.6
[M-H]- 251.11899 163.8
[M+Na-2H]- 273.10094 165.9
[M]+ 252.12572 161.5
[M]- 252.12682 161.5
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

No patent data available for this compound.