CID 67076

N-benzyl-n-ethyl-m-toluidine

Structural Information

Molecular Formula
C16H19N
SMILES
CCN(CC1=CC=CC=C1)C2=CC=CC(=C2)C
InChI
InChI=1S/C16H19N/c1-3-17(13-15-9-5-4-6-10-15)16-11-7-8-14(2)12-16/h4-12H,3,13H2,1-2H3
InChIKey
VIACAIAQHPLINF-UHFFFAOYSA-N
Compound name
N-benzyl-N-ethyl-3-methylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

188
Patents

225.15175 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.15903 152.7
[M+Na]+ 248.14097 158.7
[M-H]- 224.14447 160.4
[M+NH4]+ 243.18557 171.1
[M+K]+ 264.11491 155.7
[M+H-H2O]+ 208.14901 144.8
[M+HCOO]- 270.14995 178.0
[M+CH3COO]- 284.16560 197.5
[M+Na-2H]- 246.12642 158.6
[M]+ 225.15120 153.4
[M]- 225.15230 153.4
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