CID 3055735

1-benzylamino-3-benzyloxy-2-propanol maleate

Structural Information

Molecular Formula
C17H21NO2
SMILES
C1=CC=C(C=C1)CNCC(COCC2=CC=CC=C2)O
InChI
InChI=1S/C17H21NO2/c19-17(12-18-11-15-7-3-1-4-8-15)14-20-13-16-9-5-2-6-10-16/h1-10,17-19H,11-14H2
InChIKey
RBWDXIHJXAZLIR-UHFFFAOYSA-N
Compound name
1-(benzylamino)-3-phenylmethoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

271.15723 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.16451 166.1
[M+Na]+ 294.14645 178.4
[M+NH4]+ 289.19105 174.2
[M+K]+ 310.12039 170.3
[M-H]- 270.14995 170.7
[M+Na-2H]- 292.13190 174.8
[M]+ 271.15668 169.1
[M]- 271.15778 169.1
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