CID 54712269

Nsc649830

Structural Information

Molecular Formula
C33H34N2O6
SMILES
CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)/C(=N\O)/CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C33H34N2O6/c1-19(2)23-14-10-15-24(20(3)4)30(23)34-32(38)27(35-40)18-22(36)17-26(21-11-6-5-7-12-21)29-31(37)25-13-8-9-16-28(25)41-33(29)39/h5-16,19-20,26,37,40H,17-18H2,1-4H3,(H,34,38)/b35-27-
InChIKey
YTKUIBWWTCQQCX-LSWMGQQCSA-N
Compound name
(2Z)-N-[2,6-di(propan-2-yl)phenyl]-2-hydroxyimino-6-(4-hydroxy-2-oxochromen-3-yl)-4-oxo-6-phenylhexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

554.2417 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 555.24898 237.8
[M+Na]+ 577.23092 238.6
[M-H]- 553.23442 246.4
[M+NH4]+ 572.27552 239.1
[M+K]+ 593.20486 237.1
[M+H-H2O]+ 537.23896 226.3
[M+HCOO]- 599.23990 251.4
[M+CH3COO]- 613.25555 260.7
[M+Na-2H]- 575.21637 232.9
[M]+ 554.24115 240.4
[M]- 554.24225 240.4
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.