CID 54712267

Nsc649812

Structural Information

Molecular Formula
C29H26N2O6
SMILES
CC1=C(C(=CC=C1)C)NC(=O)/C(=N\O)/CC(=O)CC(C2=CC=CC=C2)C3=C(C4=CC=CC=C4OC3=O)O
InChI
InChI=1S/C29H26N2O6/c1-17-9-8-10-18(2)26(17)30-28(34)23(31-36)16-20(32)15-22(19-11-4-3-5-12-19)25-27(33)21-13-6-7-14-24(21)37-29(25)35/h3-14,22,33,36H,15-16H2,1-2H3,(H,30,34)/b31-23-
InChIKey
MMLFXOGJGBIQEQ-SXBRIOAWSA-N
Compound name
(2Z)-N-(2,6-dimethylphenyl)-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

498.17908 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.18636 221.5
[M+Na]+ 521.16830 225.0
[M-H]- 497.17180 230.9
[M+NH4]+ 516.21290 225.4
[M+K]+ 537.14224 222.5
[M+H-H2O]+ 481.17634 210.1
[M+HCOO]- 543.17728 238.5
[M+CH3COO]- 557.19293 247.5
[M+Na-2H]- 519.15375 220.7
[M]+ 498.17853 224.0
[M]- 498.17963 224.0
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.