CID 744830

376380-65-3

Structural Information

Molecular Formula
C19H17NO4
SMILES
CC1=C(C(=O)OC2=C1C=CC(=C2)OCC(=O)N)CC3=CC=CC=C3
InChI
InChI=1S/C19H17NO4/c1-12-15-8-7-14(23-11-18(20)21)10-17(15)24-19(22)16(12)9-13-5-3-2-4-6-13/h2-8,10H,9,11H2,1H3,(H2,20,21)
InChIKey
WULMDNDSTYDGFO-UHFFFAOYSA-N
Compound name
2-(3-benzyl-4-methyl-2-oxochromen-7-yl)oxyacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

323.11575 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.12303 175.0
[M+Na]+ 346.10497 183.6
[M-H]- 322.10847 183.3
[M+NH4]+ 341.14957 188.3
[M+K]+ 362.07891 180.5
[M+H-H2O]+ 306.11301 166.2
[M+HCOO]- 368.11395 196.9
[M+CH3COO]- 382.12960 211.8
[M+Na-2H]- 344.09042 179.6
[M]+ 323.11520 178.7
[M]- 323.11630 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.