CID 30678

1-(3,4-diethoxybenzyl)guanidine sulfate (2:1)

Structural Information

Molecular Formula
C12H19N3O2
SMILES
CCOC1=C(C=C(C=C1)CN=C(N)N)OCC
InChI
InChI=1S/C12H19N3O2/c1-3-16-10-6-5-9(8-15-12(13)14)7-11(10)17-4-2/h5-7H,3-4,8H2,1-2H3,(H4,13,14,15)
InChIKey
LZFLJALQJQFNOO-UHFFFAOYSA-N
Compound name
2-[(3,4-diethoxyphenyl)methyl]guanidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.14772 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.15500 155.5
[M+Na]+ 260.13694 164.4
[M+NH4]+ 255.18154 162.1
[M+K]+ 276.11088 159.1
[M-H]- 236.14044 158.2
[M+Na-2H]- 258.12239 160.2
[M]+ 237.14717 157.1
[M]- 237.14827 157.1
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.