CID 13272139

80058-85-1

Structural Information

Molecular Formula
C18H23NO
SMILES
CC(C)C1=CC(=CC(=C1N)C(C)C)OC2=CC=CC=C2
InChI
InChI=1S/C18H23NO/c1-12(2)16-10-15(11-17(13(3)4)18(16)19)20-14-8-6-5-7-9-14/h5-13H,19H2,1-4H3
InChIKey
WRBGLNGTYOVAJO-UHFFFAOYSA-N
Compound name
4-phenoxy-2,6-di(propan-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

85
Patents

269.17798 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.185256 166.1
[M+Na]+ 292.167198 172.4
[M-H]- 268.170704 172.5
[M+NH4]+ 287.211803 182.3
[M+K]+ 308.141138 168.8
[M+H-H2O]+ 252.175240 158.4
[M+HCOO]- 314.176181 187.7
[M+CH3COO]- 328.191831 205.5
[M+Na-2H]- 290.152646 166.7
[M]+ 269.17743142 166.3
[M]- 269.17852858 166.3
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