CID 453653

4'-serylavarone

Structural Information

Molecular Formula
C24H33NO5
SMILES
CC1CCC2(C([C@]1(C)CC3=CC(=O)C(=CC3=O)NC(CO)C(=O)O)CCC=C2C)C
InChI
InChI=1S/C24H33NO5/c1-14-6-5-7-21-23(14,3)9-8-15(2)24(21,4)12-16-10-20(28)17(11-19(16)27)25-18(13-26)22(29)30/h6,10-11,15,18,21,25-26H,5,7-9,12-13H2,1-4H3,(H,29,30)/t15?,18?,21?,23?,24-/m1/s1
InChIKey
WDJKBKFPMIXHIR-HCUROMNKSA-N
Compound name
2-[[4-[[(1R)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]-3,6-dioxocyclohexa-1,4-dien-1-yl]amino]-3-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.23587 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.24315 198.1
[M+Na]+ 438.22509 202.1
[M-H]- 414.22859 201.7
[M+NH4]+ 433.26969 211.8
[M+K]+ 454.19903 198.6
[M+H-H2O]+ 398.23313 191.9
[M+HCOO]- 460.23407 208.7
[M+CH3COO]- 474.24972 228.8
[M+Na-2H]- 436.21054 195.8
[M]+ 415.23532 195.2
[M]- 415.23642 195.2
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.