CID 3052768

Pytamine

Structural Information

Molecular Formula
C20H28N2O
SMILES
CCC1=C(C(=CC=C1)CC)C(C2=CC=CC=N2)OCCN(C)C
InChI
InChI=1S/C20H28N2O/c1-5-16-10-9-11-17(6-2)19(16)20(23-15-14-22(3)4)18-12-7-8-13-21-18/h7-13,20H,5-6,14-15H2,1-4H3
InChIKey
NDOLHPQPHFXYLK-UHFFFAOYSA-N
Compound name
2-[(2,6-diethylphenyl)-pyridin-2-ylmethoxy]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

312.22015 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.227426 179.3
[M+Na]+ 335.209368 184.0
[M-H]- 311.212874 185.2
[M+NH4]+ 330.253973 192.8
[M+K]+ 351.183308 180.9
[M+H-H2O]+ 295.217410 169.4
[M+HCOO]- 357.218351 201.0
[M+CH3COO]- 371.234001 216.0
[M+Na-2H]- 333.194816 181.1
[M]+ 312.21960142 183.0
[M]- 312.22069858 183.0
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.