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]+ 221.17608 153.4
[M+Na]+ 243.15802 157.6
[M-H]- 219.16152 157.2
[M+NH4]+ 238.20262 170.4
[M+K]+ 259.13196 156.6
[M+H-H2O]+ 203.16606 144.6
[M+HCOO]- 265.16700 179.3
[M+CH3COO]- 279.18265 202.5
[M+Na-2H]- 241.14347 158.5
[M]+ 220.16825 153.4
[M]- 220.16935 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.