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]+ 303.133926 168.9
[M+Na]+ 325.115868 173.7
[M-H]- 301.119374 175.1
[M+NH4]+ 320.160473 183.2
[M+K]+ 341.089808 172.0
[M+H-H2O]+ 285.123910 161.2
[M+HCOO]- 347.124851 185.5
[M+CH3COO]- 361.140501 204.8
[M+Na-2H]- 323.101316 169.4
[M]+ 302.12610142 166.3
[M]- 302.12719858 166.3
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.