CID 41177

54785-33-0

Structural Information

Molecular Formula
C16H16N2O
SMILES
CC(CN)C1=CC2=C(C=C1)OC(=N2)C3=CC=CC=C3
InChI
InChI=1S/C16H16N2O/c1-11(10-17)13-7-8-15-14(9-13)18-16(19-15)12-5-3-2-4-6-12/h2-9,11H,10,17H2,1H3
InChIKey
SVSQLRNAURGLGW-UHFFFAOYSA-N
Compound name
2-(2-phenyl-1,3-benzoxazol-5-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]+ 253.133546 157.6
[M+Na]+ 275.115488 166.6
[M-H]- 251.118994 164.8
[M+NH4]+ 270.160093 174.5
[M+K]+ 291.089428 162.9
[M+H-H2O]+ 235.123530 149.7
[M+HCOO]- 297.124471 180.8
[M+CH3COO]- 311.140121 170.5
[M+Na-2H]- 273.100936 163.4
[M]+ 252.12572142 159.5
[M]- 252.12681858 159.5
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.