CID 3020498

Einecs 286-129-5

Structural Information

Molecular Formula
C17H22N2O2
SMILES
C1=CC=C(C=C1)OCC(CNCC2=CC=CC(=C2)CN)O
InChI
InChI=1S/C17H22N2O2/c18-10-14-5-4-6-15(9-14)11-19-12-16(20)13-21-17-7-2-1-3-8-17/h1-9,16,19-20H,10-13,18H2
InChIKey
ZPFBSOGXAYWMTR-UHFFFAOYSA-N
Compound name
1-[[3-(aminomethyl)phenyl]methylamino]-3-phenoxypropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.16812 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.175396 167.5
[M+Na]+ 309.157338 171.1
[M-H]- 285.160844 171.6
[M+NH4]+ 304.201943 181.1
[M+K]+ 325.131278 166.9
[M+H-H2O]+ 269.165380 159.0
[M+HCOO]- 331.166321 190.2
[M+CH3COO]- 345.181971 204.0
[M+Na-2H]- 307.142786 171.4
[M]+ 286.16757142 165.9
[M]- 286.16866858 165.9
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.