CID 49606

(2-(n-ethyl-2,6-xylidino)ethyl)guanidine

Structural Information

Molecular Formula
C13H22N4
SMILES
CCN(CCN=C(N)N)C1=C(C=CC=C1C)C
InChI
InChI=1S/C13H22N4/c1-4-17(9-8-16-13(14)15)12-10(2)6-5-7-11(12)3/h5-7H,4,8-9H2,1-3H3,(H4,14,15,16)
InChIKey
ZLQCDDCYRBKNGS-UHFFFAOYSA-N
Compound name
2-[2-(N-ethyl-2,6-dimethylanilino)ethyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.18445 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19173 158.3
[M+Na]+ 257.17367 163.1
[M-H]- 233.17717 163.5
[M+NH4]+ 252.21827 176.0
[M+K]+ 273.14761 161.8
[M+H-H2O]+ 217.18171 150.3
[M+HCOO]- 279.18265 185.4
[M+CH3COO]- 293.19830 209.8
[M+Na-2H]- 255.15912 160.3
[M]+ 234.18390 157.0
[M]- 234.18500 157.0
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.