CID 48854

N-(2-dimethylaminoethyl)-4-methoxybenzamidine dihydrochloride

Structural Information

Molecular Formula
C12H19N3O
SMILES
CN(C)CCN=C(C1=CC=C(C=C1)OC)N
InChI
InChI=1S/C12H19N3O/c1-15(2)9-8-14-12(13)10-4-6-11(16-3)7-5-10/h4-7H,8-9H2,1-3H3,(H2,13,14)
InChIKey
XVWDHYXTTBWMSA-UHFFFAOYSA-N
Compound name
N'-[2-(dimethylamino)ethyl]-4-methoxybenzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.15282 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.16010 152.6
[M+Na]+ 244.14204 157.6
[M-H]- 220.14554 158.2
[M+NH4]+ 239.18664 171.1
[M+K]+ 260.11598 157.3
[M+H-H2O]+ 204.15008 144.8
[M+HCOO]- 266.15102 179.9
[M+CH3COO]- 280.16667 203.1
[M+Na-2H]- 242.12749 156.6
[M]+ 221.15227 153.8
[M]- 221.15337 153.8
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.