CID 3067677

81816-88-8

Structural Information

Molecular Formula
C19H21NO3
SMILES
CCN(C1=CC=C(C=C1)OC)C(=O)C2CCC3=CC=CC=C3O2
InChI
InChI=1S/C19H21NO3/c1-3-20(15-9-11-16(22-2)12-10-15)19(21)18-13-8-14-6-4-5-7-17(14)23-18/h4-7,9-12,18H,3,8,13H2,1-2H3
InChIKey
ZCIJZMBDXBYMAR-UHFFFAOYSA-N
Compound name
N-ethyl-N-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.15213 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 173.6
[M+Na]+ 334.14135 178.3
[M-H]- 310.14485 182.2
[M+NH4]+ 329.18595 187.7
[M+K]+ 350.11529 177.1
[M+H-H2O]+ 294.14939 164.5
[M+HCOO]- 356.15033 193.4
[M+CH3COO]- 370.16598 211.6
[M+Na-2H]- 332.12680 177.8
[M]+ 311.15158 174.9
[M]- 311.15268 174.9
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.