CID 210034

20862-53-7

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CC(=O)NC1=CC2=C(C=C1)OC(=O)C(C2)C(=O)N3CCCC3
InChI
InChI=1S/C16H18N2O4/c1-10(19)17-12-4-5-14-11(8-12)9-13(16(21)22-14)15(20)18-6-2-3-7-18/h4-5,8,13H,2-3,6-7,9H2,1H3,(H,17,19)
InChIKey
TULNRFGKUDQRHW-UHFFFAOYSA-N
Compound name
N-[2-oxo-3-(pyrrolidine-1-carbonyl)-3,4-dihydrochromen-6-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 169.3
[M+Na]+ 325.11587 178.6
[M+NH4]+ 320.16047 175.6
[M+K]+ 341.08981 176.1
[M-H]- 301.11937 172.5
[M+Na-2H]- 323.10132 171.7
[M]+ 302.12610 171.1
[M]- 302.12720 171.1
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.