CID 208653

32773-99-2

Structural Information

Molecular Formula
C17H17NO5
SMILES
C1CCC(C(C1)C(=O)N)OC(=O)C2=CC(=O)C3=CC=CC=C3O2
InChI
InChI=1S/C17H17NO5/c18-16(20)11-6-2-4-8-14(11)23-17(21)15-9-12(19)10-5-1-3-7-13(10)22-15/h1,3,5,7,9,11,14H,2,4,6,8H2,(H2,18,20)
InChIKey
UKQDPWYXWLDSKH-UHFFFAOYSA-N
Compound name
(2-carbamoylcyclohexyl) 4-oxochromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.1107 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.11798 169.8
[M+Na]+ 338.09992 181.2
[M+NH4]+ 333.14452 176.3
[M+K]+ 354.07386 176.4
[M-H]- 314.10342 174.3
[M+Na-2H]- 336.08537 174.3
[M]+ 315.11015 172.4
[M]- 315.11125 172.4
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.