CID 10517107

111060-54-9

Structural Information

Molecular Formula
C19H25NO
SMILES
CC(C)[C@@H](CO)N(CC1=CC=CC=C1)CC2=CC=CC=C2
InChI
InChI=1S/C19H25NO/c1-16(2)19(15-21)20(13-17-9-5-3-6-10-17)14-18-11-7-4-8-12-18/h3-12,16,19,21H,13-15H2,1-2H3/t19-/m1/s1
InChIKey
ZWLAXLXECFRUPM-LJQANCHMSA-N
Compound name
(2S)-2-(dibenzylamino)-3-methylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

283.1936 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 171.2
[M+Na]+ 306.18282 173.8
[M-H]- 282.18632 176.7
[M+NH4]+ 301.22742 185.9
[M+K]+ 322.15676 170.7
[M+H-H2O]+ 266.19086 162.7
[M+HCOO]- 328.19180 192.1
[M+CH3COO]- 342.20745 206.5
[M+Na-2H]- 304.16827 173.2
[M]+ 283.19305 170.8
[M]- 283.19415 170.8
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