CID 4720348

880811-10-9

Structural Information

Molecular Formula
C21H21FN2O2
SMILES
COC1=C(C=CC(=C1)CNCC2=CC=CC=N2)OCC3=CC=CC=C3F
InChI
InChI=1S/C21H21FN2O2/c1-25-21-12-16(13-23-14-18-7-4-5-11-24-18)9-10-20(21)26-15-17-6-2-3-8-19(17)22/h2-12,23H,13-15H2,1H3
InChIKey
QNWQZQHYIXEUHA-UHFFFAOYSA-N
Compound name
1-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(pyridin-2-ylmethyl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.1587 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.16598 184.0
[M+Na]+ 375.14792 190.5
[M-H]- 351.15142 190.6
[M+NH4]+ 370.19252 194.7
[M+K]+ 391.12186 184.7
[M+H-H2O]+ 335.15596 172.0
[M+HCOO]- 397.15690 206.1
[M+CH3COO]- 411.17255 216.5
[M+Na-2H]- 373.13337 188.4
[M]+ 352.15815 185.3
[M]- 352.15925 185.3
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.