CID 783138

2-{benzyl[(2,5-dimethylphenyl)methyl]amino}ethan-1-ol

Structural Information

Molecular Formula
C18H23NO
SMILES
CC1=CC(=C(C=C1)C)CN(CCO)CC2=CC=CC=C2
InChI
InChI=1S/C18H23NO/c1-15-8-9-16(2)18(12-15)14-19(10-11-20)13-17-6-4-3-5-7-17/h3-9,12,20H,10-11,13-14H2,1-2H3
InChIKey
ZEKWMEGSYHTUST-UHFFFAOYSA-N
Compound name
2-[benzyl-[(2,5-dimethylphenyl)methyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

269.17798 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.18526 165.6
[M+Na]+ 292.16720 171.2
[M-H]- 268.17070 171.9
[M+NH4]+ 287.21180 181.7
[M+K]+ 308.14114 167.3
[M+H-H2O]+ 252.17524 157.5
[M+HCOO]- 314.17618 188.9
[M+CH3COO]- 328.19183 204.0
[M+Na-2H]- 290.15265 169.2
[M]+ 269.17743 166.9
[M]- 269.17853 166.9
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

No patent data available for this compound.