CID 201890

Pyridine, 2-((2-(dimethylamino)ethyl)furfurylamino)-, fumarate

Structural Information

Molecular Formula
C16H23N3O
SMILES
CCN(CC)CCN(CC1=CC=CO1)C2=CC=CC=N2
InChI
InChI=1S/C16H23N3O/c1-3-18(4-2)11-12-19(14-15-8-7-13-20-15)16-9-5-6-10-17-16/h5-10,13H,3-4,11-12,14H2,1-2H3
InChIKey
LTZDMJAZQVUVHT-UHFFFAOYSA-N
Compound name
N,N-diethyl-N'-(furan-2-ylmethyl)-N'-pyridin-2-ylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1841 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.19138 167.5
[M+Na]+ 296.17332 171.7
[M-H]- 272.17682 175.4
[M+NH4]+ 291.21792 183.0
[M+K]+ 312.14726 171.4
[M+H-H2O]+ 256.18136 157.8
[M+HCOO]- 318.18230 193.0
[M+CH3COO]- 332.19795 209.2
[M+Na-2H]- 294.15877 172.0
[M]+ 273.18355 171.6
[M]- 273.18465 171.6
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.