CID 4131497

4-methoxy-n-(4-methoxyphenyl)benzylamine

Structural Information

Molecular Formula
C15H17NO2
SMILES
COC1=CC=C(C=C1)CNC2=CC=C(C=C2)OC
InChI
InChI=1S/C15H17NO2/c1-17-14-7-3-12(4-8-14)11-16-13-5-9-15(18-2)10-6-13/h3-10,16H,11H2,1-2H3
InChIKey
BLQPPHRONOIFIJ-UHFFFAOYSA-N
Compound name
4-methoxy-N-[(4-methoxyphenyl)methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

243.12593 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.133206 154.6
[M+Na]+ 266.115148 161.7
[M-H]- 242.118654 161.4
[M+NH4]+ 261.159753 171.8
[M+K]+ 282.089088 158.6
[M+H-H2O]+ 226.123190 146.7
[M+HCOO]- 288.124131 180.1
[M+CH3COO]- 302.139781 196.2
[M+Na-2H]- 264.100596 161.1
[M]+ 243.12538142 156.9
[M]- 243.12647858 156.9
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