CID 3055735

2-propanol, 1-benzylamino-3-benzyloxy-, 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

9
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 164.2
[M+Na]+ 294.14645 167.7
[M-H]- 270.14995 168.4
[M+NH4]+ 289.19105 178.7
[M+K]+ 310.12039 163.7
[M+H-H2O]+ 254.15449 155.9
[M+HCOO]- 316.15543 186.5
[M+CH3COO]- 330.17108 198.3
[M+Na-2H]- 292.13190 169.4
[M]+ 271.15668 163.9
[M]- 271.15778 163.9
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