CID 6447799

N-(2-(diethylamino)ethyl)-n-(2-pyridylmethyl)cinnamamide dihydrochloride

Structural Information

Molecular Formula
C21H27N3O
SMILES
CCN(CC)CCN(CC1=CC=CC=N1)C(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C21H27N3O/c1-3-23(4-2)16-17-24(18-20-12-8-9-15-22-20)21(25)14-13-19-10-6-5-7-11-19/h5-15H,3-4,16-18H2,1-2H3/b14-13+
InChIKey
UFNTUAACAMHDIO-BUHFOSPRSA-N
Compound name
(E)-N-[2-(diethylamino)ethyl]-3-phenyl-N-(pyridin-2-ylmethyl)prop-2-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.21542 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 186.0
[M+Na]+ 360.20464 188.4
[M-H]- 336.20814 192.4
[M+NH4]+ 355.24924 198.1
[M+K]+ 376.17858 185.1
[M+H-H2O]+ 320.21268 175.1
[M+HCOO]- 382.21362 209.3
[M+CH3COO]- 396.22927 222.0
[M+Na-2H]- 358.19009 188.5
[M]+ 337.21487 188.3
[M]- 337.21597 188.3
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.