CID 15729333

N-benzyl-3,4-dimethoxyaniline

Structural Information

Molecular Formula
C15H17NO2
SMILES
COC1=C(C=C(C=C1)NCC2=CC=CC=C2)OC
InChI
InChI=1S/C15H17NO2/c1-17-14-9-8-13(10-15(14)18-2)16-11-12-6-4-3-5-7-12/h3-10,16H,11H2,1-2H3
InChIKey
ISFAKKYTEKYAMC-UHFFFAOYSA-N
Compound name
N-benzyl-3,4-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

243.12593 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.13321 155.9
[M+Na]+ 266.11515 170.2
[M+NH4]+ 261.15975 164.8
[M+K]+ 282.08909 162.0
[M-H]- 242.11865 161.4
[M+Na-2H]- 264.10060 165.7
[M]+ 243.12538 159.6
[M]- 243.12648 159.6
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

patents stripe