CID 3084874

N-(2-acetamidoethyl)-n-ethyl-m-toluidine

Structural Information

Molecular Formula
C13H20N2O
SMILES
CCN(CCNC(=O)C)C1=CC=CC(=C1)C
InChI
InChI=1S/C13H20N2O/c1-4-15(9-8-14-12(3)16)13-7-5-6-11(2)10-13/h5-7,10H,4,8-9H2,1-3H3,(H,14,16)
InChIKey
ZPEDSBOBSNNATM-UHFFFAOYSA-N
Compound name
N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

442
Patents

220.15756 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.16484 153.1
[M+Na]+ 243.14678 158.2
[M-H]- 219.15028 157.8
[M+NH4]+ 238.19138 171.7
[M+K]+ 259.12072 157.1
[M+H-H2O]+ 203.15482 145.9
[M+HCOO]- 265.15576 178.3
[M+CH3COO]- 279.17141 199.1
[M+Na-2H]- 241.13223 157.0
[M]+ 220.15701 154.6
[M]- 220.15811 154.6
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