CID 53898

77966-47-3

Structural Information

Molecular Formula
C13H19ClN2O
SMILES
CCN(CC)CC(=O)NC1=C(C=C(C=C1)Cl)C
InChI
InChI=1S/C13H19ClN2O/c1-4-16(5-2)9-13(17)15-12-7-6-11(14)8-10(12)3/h6-8H,4-5,9H2,1-3H3,(H,15,17)
InChIKey
XLUPGEXVAXOORE-UHFFFAOYSA-N
Compound name
N-(4-chloro-2-methylphenyl)-2-(diethylamino)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11859 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12587 159.8
[M+Na]+ 277.10781 166.6
[M-H]- 253.11131 164.6
[M+NH4]+ 272.15241 178.2
[M+K]+ 293.08175 163.4
[M+H-H2O]+ 237.11585 153.7
[M+HCOO]- 299.11679 180.4
[M+CH3COO]- 313.13244 204.0
[M+Na-2H]- 275.09326 162.4
[M]+ 254.11804 163.8
[M]- 254.11914 163.8
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.