CID 54693661

N-tert-butyl-4-(1,5-dimethylhex-4-enyl)-3-hydroxy-2-methyl-5-oxo-furan-2-carboxamide

Structural Information

Molecular Formula
C18H29NO4
SMILES
CC(CCC=C(C)C)C1=C(C(OC1=O)(C)C(=O)NC(C)(C)C)O
InChI
InChI=1S/C18H29NO4/c1-11(2)9-8-10-12(3)13-14(20)18(7,23-15(13)21)16(22)19-17(4,5)6/h9,12,20H,8,10H2,1-7H3,(H,19,22)
InChIKey
QREAEZAFMNDZBA-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-hydroxy-2-methyl-4-(6-methylhept-5-en-2-yl)-5-oxofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.20966 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21694 177.8
[M+Na]+ 346.19888 183.2
[M-H]- 322.20238 180.6
[M+NH4]+ 341.24348 194.2
[M+K]+ 362.17282 182.2
[M+H-H2O]+ 306.20692 174.2
[M+HCOO]- 368.20786 194.2
[M+CH3COO]- 382.22351 211.2
[M+Na-2H]- 344.18433 176.6
[M]+ 323.20911 180.9
[M]- 323.21021 180.9
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.