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 169.5
[M+Na]+ 338.09992 174.9
[M-H]- 314.10342 176.7
[M+NH4]+ 333.14452 182.4
[M+K]+ 354.07386 173.3
[M+H-H2O]+ 298.10796 161.2
[M+HCOO]- 360.10890 187.2
[M+CH3COO]- 374.12455 207.6
[M+Na-2H]- 336.08537 172.1
[M]+ 315.11015 168.0
[M]- 315.11125 168.0
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.