CID 9574489

Akos024328809

Structural Information

Molecular Formula
C18H18N2O3
SMILES
CC(C(=O)N/N=C/1\CCOC2=CC=CC=C12)OC3=CC=CC=C3
InChI
InChI=1S/C18H18N2O3/c1-13(23-14-7-3-2-4-8-14)18(21)20-19-16-11-12-22-17-10-6-5-9-15(16)17/h2-10,13H,11-12H2,1H3,(H,20,21)/b19-16+
InChIKey
TYXINDVLMGYACC-KNTRCKAVSA-N
Compound name
N-[(E)-2,3-dihydrochromen-4-ylideneamino]-2-phenoxypropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.13174 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.13902 171.0
[M+Na]+ 333.12096 174.7
[M-H]- 309.12446 179.4
[M+NH4]+ 328.16556 184.5
[M+K]+ 349.09490 173.1
[M+H-H2O]+ 293.12900 161.7
[M+HCOO]- 355.12994 192.5
[M+CH3COO]- 369.14559 211.2
[M+Na-2H]- 331.10641 177.2
[M]+ 310.13119 170.2
[M]- 310.13229 170.2
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.