CID 501443

(2r,3r)-1,4-bis(benzylamino)butane-2,3-diol

Structural Information

Molecular Formula
C18H24N2O2
SMILES
C1=CC=C(C=C1)CNC[C@H]([C@@H](CNCC2=CC=CC=C2)O)O
InChI
InChI=1S/C18H24N2O2/c21-17(13-19-11-15-7-3-1-4-8-15)18(22)14-20-12-16-9-5-2-6-10-16/h1-10,17-22H,11-14H2/t17-,18-/m1/s1
InChIKey
GVHWENRBOYFCFW-QZTJIDSGSA-N
Compound name
(2R,3R)-1,4-bis(benzylamino)butane-2,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

300.18378 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 171.6
[M+Na]+ 323.17300 173.0
[M-H]- 299.17650 174.2
[M+NH4]+ 318.21760 183.7
[M+K]+ 339.14694 168.6
[M+H-H2O]+ 283.18104 163.0
[M+HCOO]- 345.18198 192.0
[M+CH3COO]- 359.19763 204.9
[M+Na-2H]- 321.15845 175.1
[M]+ 300.18323 168.5
[M]- 300.18433 168.5
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.