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]+ 318.17000 175.3
[M+Na]+ 340.15194 182.8
[M-H]- 316.15544 180.6
[M+NH4]+ 335.19654 189.8
[M+K]+ 356.12588 181.2
[M+H-H2O]+ 300.15998 168.3
[M+HCOO]- 362.16092 195.4
[M+CH3COO]- 376.17657 211.1
[M+Na-2H]- 338.13739 180.9
[M]+ 317.16217 181.4
[M]- 317.16327 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.