CID 53902

77966-49-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.11859 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.125866 159.8
[M+Na]+ 277.107808 166.6
[M-H]- 253.111314 164.6
[M+NH4]+ 272.152413 178.2
[M+K]+ 293.081748 163.4
[M+H-H2O]+ 237.115850 153.7
[M+HCOO]- 299.116791 180.4
[M+CH3COO]- 313.132441 204.0
[M+Na-2H]- 275.093256 162.4
[M]+ 254.11804142 163.8
[M]- 254.11913858 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.