CID 3051602

4-morpholinecarboxamidine, n'-(2,6-dichlorophenyl)-n,n-dimethyl-, hydrochloride

Structural Information

Molecular Formula
C13H17Cl2N3O
SMILES
CN(C)C(=NC1=C(C=CC=C1Cl)Cl)N2CCOCC2
InChI
InChI=1S/C13H17Cl2N3O/c1-17(2)13(18-6-8-19-9-7-18)16-12-10(14)4-3-5-11(12)15/h3-5H,6-9H2,1-2H3
InChIKey
FEYKBJGQUCHGFX-UHFFFAOYSA-N
Compound name
N'-(2,6-dichlorophenyl)-N,N-dimethylmorpholine-4-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.07486 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.08214 170.6
[M+Na]+ 324.06408 176.6
[M-H]- 300.06758 177.6
[M+NH4]+ 319.10868 184.9
[M+K]+ 340.03802 173.8
[M+H-H2O]+ 284.07212 162.6
[M+HCOO]- 346.07306 182.3
[M+CH3COO]- 360.08871 208.8
[M+Na-2H]- 322.04953 173.1
[M]+ 301.07431 171.8
[M]- 301.07541 171.8
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.