CID 3021824

1-(2,6-dichlorophenylacetyl)-3-ethylguanidine

Structural Information

Molecular Formula
C11H13Cl2N3O
SMILES
CCN=C(N)NC(=O)CC1=C(C=CC=C1Cl)Cl
InChI
InChI=1S/C11H13Cl2N3O/c1-2-15-11(14)16-10(17)6-7-8(12)4-3-5-9(7)13/h3-5H,2,6H2,1H3,(H3,14,15,16,17)
InChIKey
MTXRYLDKVRPTGG-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-N-(N'-ethylcarbamimidoyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

273.04358 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.05086 162.1
[M+Na]+ 296.03280 169.7
[M-H]- 272.03630 166.0
[M+NH4]+ 291.07740 179.5
[M+K]+ 312.00674 164.6
[M+H-H2O]+ 256.04084 157.0
[M+HCOO]- 318.04178 178.9
[M+CH3COO]- 332.05743 204.6
[M+Na-2H]- 294.01825 164.0
[M]+ 273.04303 163.9
[M]- 273.04413 163.9
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

patents stripe