CID 3077720

3-pyridinecarboximidamide, n-(2-(diethylamino)ethyl)-, hydrochloride, hydrate (1:1:2)

Structural Information

Molecular Formula
C12H20N4
SMILES
CCN(CC)CCN=C(C1=CN=CC=C1)N
InChI
InChI=1S/C12H20N4/c1-3-16(4-2)9-8-15-12(13)11-6-5-7-14-10-11/h5-7,10H,3-4,8-9H2,1-2H3,(H2,13,15)
InChIKey
KMEYECSYQMIPMR-UHFFFAOYSA-N
Compound name
N'-[2-(diethylamino)ethyl]pyridine-3-carboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.1688 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.176076 153.4
[M+Na]+ 243.158018 157.6
[M-H]- 219.161524 157.2
[M+NH4]+ 238.202623 170.4
[M+K]+ 259.131958 156.6
[M+H-H2O]+ 203.166060 144.6
[M+HCOO]- 265.167001 179.3
[M+CH3COO]- 279.182651 202.5
[M+Na-2H]- 241.143466 158.5
[M]+ 220.16825142 153.4
[M]- 220.16934858 153.4
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.