CID 55497

Nk9k9csh3x

Structural Information

Molecular Formula
C24H29NO6
SMILES
CCCC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC
InChI
InChI=1S/C24H29NO6/c1-6-7-21(27)25-17-10-8-14-12-20(29-3)23(30-4)24(31-5)22(14)15-9-11-19(28-2)18(26)13-16(15)17/h9,11-13,17H,6-8,10H2,1-5H3,(H,25,27)/t17-/m0/s1
InChIKey
XWHJWSRKXWWZRN-KRWDZBQOSA-N
Compound name
N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

427.1995 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.20678 200.2
[M+Na]+ 450.18872 206.2
[M+NH4]+ 445.23332 203.4
[M+K]+ 466.16266 203.3
[M-H]- 426.19222 200.9
[M+Na-2H]- 448.17417 200.8
[M]+ 427.19895 201.2
[M]- 427.20005 201.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.