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

16
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

literature stripe

Patent stripe

patents stripe