CID 53938

C 5346

Structural Information

Molecular Formula
C16H27N3O
SMILES
CCN(CC)CCN(C)CC(=O)NC1=CC=CC=C1C
InChI
InChI=1S/C16H27N3O/c1-5-19(6-2)12-11-18(4)13-16(20)17-15-10-8-7-9-14(15)3/h7-10H,5-6,11-13H2,1-4H3,(H,17,20)
InChIKey
XGHYRYOVNLJKIV-UHFFFAOYSA-N
Compound name
2-[2-(diethylamino)ethyl-methylamino]-N-(2-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.21542 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.222696 171.4
[M+Na]+ 300.204638 174.4
[M-H]- 276.208144 176.8
[M+NH4]+ 295.249243 187.8
[M+K]+ 316.178578 174.0
[M+H-H2O]+ 260.212680 162.9
[M+HCOO]- 322.213621 197.0
[M+CH3COO]- 336.229271 216.7
[M+Na-2H]- 298.190086 173.1
[M]+ 277.21487142 174.4
[M]- 277.21596858 174.4
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

No patent data available for this compound.