CID 3874391

[(4-ethoxyphenyl)methyl][3-(1h-imidazol-1-yl)propyl]amine

Structural Information

Molecular Formula
C15H21N3O
SMILES
CCOC1=CC=C(C=C1)CNCCCN2C=CN=C2
InChI
InChI=1S/C15H21N3O/c1-2-19-15-6-4-14(5-7-15)12-16-8-3-10-18-11-9-17-13-18/h4-7,9,11,13,16H,2-3,8,10,12H2,1H3
InChIKey
PSIBKQPCZLPSCT-UHFFFAOYSA-N
Compound name
N-[(4-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.16846 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.17574 160.7
[M+Na]+ 282.15768 166.7
[M-H]- 258.16118 164.2
[M+NH4]+ 277.20228 176.1
[M+K]+ 298.13162 162.9
[M+H-H2O]+ 242.16572 151.1
[M+HCOO]- 304.16666 184.2
[M+CH3COO]- 318.18231 198.2
[M+Na-2H]- 280.14313 165.5
[M]+ 259.16791 163.0
[M]- 259.16901 163.0
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.