CID 43857

N'-(3,4-dimethoxyphenethyl)-n,n-dimethylformamidine

Structural Information

Molecular Formula
C13H20N2O2
SMILES
CN(C)C=NCCC1=CC(=C(C=C1)OC)OC
InChI
InChI=1S/C13H20N2O2/c1-15(2)10-14-8-7-11-5-6-12(16-3)13(9-11)17-4/h5-6,9-10H,7-8H2,1-4H3
InChIKey
AKTHBKVCKNPUDM-UHFFFAOYSA-N
Compound name
N'-[2-(3,4-dimethoxyphenyl)ethyl]-N,N-dimethylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.15248 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.15976 154.8
[M+Na]+ 259.14170 161.5
[M-H]- 235.14520 161.2
[M+NH4]+ 254.18630 173.8
[M+K]+ 275.11564 161.3
[M+H-H2O]+ 219.14974 147.3
[M+HCOO]- 281.15068 182.8
[M+CH3COO]- 295.16633 204.1
[M+Na-2H]- 257.12715 159.8
[M]+ 236.15193 160.7
[M]- 236.15303 160.7
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

No patent data available for this compound.