CID 9903376

(1r,2s)-(+)-2-(dibutylamino)-1-phenyl-1-propanol

Structural Information

Molecular Formula
C17H29NO
SMILES
CCCCN(CCCC)[C@@H](C)[C@@H](C1=CC=CC=C1)O
InChI
InChI=1S/C17H29NO/c1-4-6-13-18(14-7-5-2)15(3)17(19)16-11-9-8-10-12-16/h8-12,15,17,19H,4-7,13-14H2,1-3H3/t15-,17-/m0/s1
InChIKey
BRRGNOFUBFINSX-RDJZCZTQSA-N
Compound name
(1R,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

263.2249 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.232176 169.9
[M+Na]+ 286.214118 172.2
[M-H]- 262.217624 172.1
[M+NH4]+ 281.258723 186.0
[M+K]+ 302.188058 170.2
[M+H-H2O]+ 246.222160 162.5
[M+HCOO]- 308.223101 190.0
[M+CH3COO]- 322.238751 204.9
[M+Na-2H]- 284.199566 170.2
[M]+ 263.22435142 171.5
[M]- 263.22544858 171.5
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