CID 24209052

882863-73-2

Structural Information

Molecular Formula
C18H23NO4
SMILES
CC1=CC(=O)OC2=C1C=C(C=C2)OCCCC(=O)NC(C)(C)C
InChI
InChI=1S/C18H23NO4/c1-12-10-17(21)23-15-8-7-13(11-14(12)15)22-9-5-6-16(20)19-18(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3,(H,19,20)
InChIKey
BSUCFVTULPOTDZ-UHFFFAOYSA-N
Compound name
N-tert-butyl-4-(4-methyl-2-oxochromen-6-yl)oxybutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.16272 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.169996 175.3
[M+Na]+ 340.151938 182.8
[M-H]- 316.155444 180.6
[M+NH4]+ 335.196543 189.8
[M+K]+ 356.125878 181.2
[M+H-H2O]+ 300.159980 168.3
[M+HCOO]- 362.160921 195.4
[M+CH3COO]- 376.176571 211.1
[M+Na-2H]- 338.137386 180.9
[M]+ 317.16217142 181.4
[M]- 317.16326858 181.4
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.