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

20
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 154.6
[M+Na]+ 266.11515 161.7
[M-H]- 242.11865 161.4
[M+NH4]+ 261.15975 171.8
[M+K]+ 282.08909 158.6
[M+H-H2O]+ 226.12319 146.7
[M+HCOO]- 288.12413 180.1
[M+CH3COO]- 302.13978 196.2
[M+Na-2H]- 264.10060 161.1
[M]+ 243.12538 156.9
[M]- 243.12648 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

No literature data available for this compound.

Patent stripe

patents stripe