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

75
Patents

269.17798 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 166.1
[M+Na]+ 292.16720 172.4
[M-H]- 268.17070 172.5
[M+NH4]+ 287.21180 182.3
[M+K]+ 308.14114 168.8
[M+H-H2O]+ 252.17524 158.4
[M+HCOO]- 314.17618 187.7
[M+CH3COO]- 328.19183 205.5
[M+Na-2H]- 290.15265 166.7
[M]+ 269.17743 166.3
[M]- 269.17853 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