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

2
Patents

237.14772 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.154996 155.0
[M+Na]+ 260.136938 160.7
[M-H]- 236.140444 159.0
[M+NH4]+ 255.181543 172.2
[M+K]+ 276.110878 159.2
[M+H-H2O]+ 220.144980 147.3
[M+HCOO]- 282.145921 181.4
[M+CH3COO]- 296.161571 202.5
[M+Na-2H]- 258.122386 158.1
[M]+ 237.14717142 155.7
[M]- 237.14826858 155.7
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