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]+ 244.133206 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

No literature data available for this compound.

Patent stripe

patents stripe