CID 209594

20014-10-2

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CC(C)NCC(CNC1=CC=C(C=C1)OC2=CC=CC=C2)O
InChI
InChI=1S/C18H24N2O2/c1-14(2)19-12-16(21)13-20-15-8-10-18(11-9-15)22-17-6-4-3-5-7-17/h3-11,14,16,19-21H,12-13H2,1-2H3
InChIKey
AAXMHKIKKLYPFM-UHFFFAOYSA-N
Compound name
1-(4-phenoxyanilino)-3-(propan-2-ylamino)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 172.5
[M+Na]+ 323.17300 175.3
[M-H]- 299.17650 177.0
[M+NH4]+ 318.21760 185.7
[M+K]+ 339.14694 171.8
[M+H-H2O]+ 283.18104 163.8
[M+HCOO]- 345.18198 194.5
[M+CH3COO]- 359.19763 208.4
[M+Na-2H]- 321.15845 175.6
[M]+ 300.18323 171.6
[M]- 300.18433 171.6
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.