CID 58564

101602-51-1

Structural Information

Molecular Formula
C17H22N2O
SMILES
CN(C)CCOC1=CC=CC=C1CNC2=CC=CC=C2
InChI
InChI=1S/C17H22N2O/c1-19(2)12-13-20-17-11-7-6-8-15(17)14-18-16-9-4-3-5-10-16/h3-11,18H,12-14H2,1-2H3
InChIKey
VYFSGDIOYSIFDW-UHFFFAOYSA-N
Compound name
N-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.17322 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 164.6
[M+Na]+ 293.16244 169.1
[M-H]- 269.16594 171.9
[M+NH4]+ 288.20704 180.6
[M+K]+ 309.13638 166.3
[M+H-H2O]+ 253.17048 155.6
[M+HCOO]- 315.17142 190.7
[M+CH3COO]- 329.18707 207.4
[M+Na-2H]- 291.14789 170.3
[M]+ 270.17267 166.3
[M]- 270.17377 166.3
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.