CID 55154

Brn 4473315

Structural Information

Molecular Formula
C16H22N2O2
SMILES
CCN(CC)CCNC(=O)C1=CC2=CC=CC=C2OC1
InChI
InChI=1S/C16H22N2O2/c1-3-18(4-2)10-9-17-16(19)14-11-13-7-5-6-8-15(13)20-12-14/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,17,19)
InChIKey
PCKKPXBYYXGBBP-UHFFFAOYSA-N
Compound name
N-[2-(diethylamino)ethyl]-2H-chromene-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.175396 166.4
[M+Na]+ 297.157338 170.5
[M-H]- 273.160844 171.9
[M+NH4]+ 292.201943 182.2
[M+K]+ 313.131278 169.6
[M+H-H2O]+ 257.165380 158.3
[M+HCOO]- 319.166321 188.2
[M+CH3COO]- 333.181971 208.1
[M+Na-2H]- 295.142786 171.9
[M]+ 274.16757142 168.3
[M]- 274.16866858 168.3
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.