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]+ 235.191726 158.3
[M+Na]+ 257.173668 163.1
[M-H]- 233.177174 163.5
[M+NH4]+ 252.218273 176.0
[M+K]+ 273.147608 161.8
[M+H-H2O]+ 217.181710 150.3
[M+HCOO]- 279.182651 185.4
[M+CH3COO]- 293.198301 209.8
[M+Na-2H]- 255.159116 160.3
[M]+ 234.18390142 157.0
[M]- 234.18499858 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.