CID 714952

Bis(4-methoxybenzyl)amine

Structural Information

Molecular Formula
C16H19NO2
SMILES
COC1=CC=C(C=C1)CNCC2=CC=C(C=C2)OC
InChI
InChI=1S/C16H19NO2/c1-18-15-7-3-13(4-8-15)11-17-12-14-5-9-16(19-2)10-6-14/h3-10,17H,11-12H2,1-2H3
InChIKey
HBKPDEWGANZHJO-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1764
Patents

257.14157 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.14885 159.2
[M+Na]+ 280.13079 165.8
[M-H]- 256.13429 165.8
[M+NH4]+ 275.17539 175.8
[M+K]+ 296.10473 162.5
[M+H-H2O]+ 240.13883 151.1
[M+HCOO]- 302.13977 184.4
[M+CH3COO]- 316.15542 199.2
[M+Na-2H]- 278.11624 165.1
[M]+ 257.14102 161.9
[M]- 257.14212 161.9
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

patents stripe