CID 3042486

59749-50-7

Structural Information

Molecular Formula
C21H17FN2O4
SMILES
C1CC(=O)N(C1C(=O)NC2=CC(=O)C3=CC=CC=C3O2)CC4=CC=C(C=C4)F
InChI
InChI=1S/C21H17FN2O4/c22-14-7-5-13(6-8-14)12-24-16(9-10-20(24)26)21(27)23-19-11-17(25)15-3-1-2-4-18(15)28-19/h1-8,11,16H,9-10,12H2,(H,23,27)
InChIKey
ZHTKATJCVVRNLI-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]-5-oxo-N-(4-oxochromen-2-yl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.11725 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12453 187.5
[M+Na]+ 403.10647 195.5
[M-H]- 379.10997 196.6
[M+NH4]+ 398.15107 198.7
[M+K]+ 419.08041 191.0
[M+H-H2O]+ 363.11451 177.2
[M+HCOO]- 425.11545 206.3
[M+CH3COO]- 439.13110 197.7
[M+Na-2H]- 401.09192 188.4
[M]+ 380.11670 187.4
[M]- 380.11780 187.4
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.