CID 20631904

(1s,2s)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol

Structural Information

Molecular Formula
C20H21NO
SMILES
CNC[C@H](C1=CC2=CC=CC=C2C=C1)[C@@H](C3=CC=CC=C3)O
InChI
InChI=1S/C20H21NO/c1-21-14-19(20(22)16-8-3-2-4-9-16)18-12-11-15-7-5-6-10-17(15)13-18/h2-13,19-22H,14H2,1H3/t19-,20-/m1/s1
InChIKey
RSZGIFQDUIROGN-WOJBJXKFSA-N
Compound name
(1S,2S)-3-(methylamino)-2-naphthalen-2-yl-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

51
Patents

291.16232 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.169596 169.3
[M+Na]+ 314.151538 173.6
[M-H]- 290.155044 174.6
[M+NH4]+ 309.196143 184.1
[M+K]+ 330.125478 168.2
[M+H-H2O]+ 274.159580 161.0
[M+HCOO]- 336.160521 189.1
[M+CH3COO]- 350.176171 179.3
[M+Na-2H]- 312.136986 174.2
[M]+ 291.16177142 167.1
[M]- 291.16286858 167.1
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