CID 9857016

194482-41-2

Structural Information

Molecular Formula
C19H25NO
SMILES
CC1=CC(=C(C=C1)O)[C@H](CCNC(C)C)C2=CC=CC=C2
InChI
InChI=1S/C19H25NO/c1-14(2)20-12-11-17(16-7-5-4-6-8-16)18-13-15(3)9-10-19(18)21/h4-10,13-14,17,20-21H,11-12H2,1-3H3/t17-/m1/s1
InChIKey
CPLYUIYTJCFQJD-QGZVFWFLSA-N
Compound name
4-methyl-2-[(1R)-1-phenyl-3-(propan-2-ylamino)propyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

22
Patents

283.1936 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 170.6
[M+Na]+ 306.18282 175.0
[M-H]- 282.18632 175.4
[M+NH4]+ 301.22742 185.3
[M+K]+ 322.15676 170.6
[M+H-H2O]+ 266.19086 162.7
[M+HCOO]- 328.19180 191.0
[M+CH3COO]- 342.20745 205.4
[M+Na-2H]- 304.16827 171.9
[M]+ 283.19305 169.8
[M]- 283.19415 169.8
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.