CID 54688600

Nsc646368

Structural Information

Molecular Formula
C33H35N3O7
SMILES
CC(C)(C)N/N=C(/CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O)\C(=O)NC4=C(C(=CC=C4)OC)OC
InChI
InChI=1S/C33H35N3O7/c1-33(2,3)36-35-25(31(39)34-24-15-11-17-27(41-4)30(24)42-5)19-21(37)18-23(20-12-7-6-8-13-20)28-29(38)22-14-9-10-16-26(22)43-32(28)40/h6-17,23,36,38H,18-19H2,1-5H3,(H,34,39)/b35-25-
InChIKey
XQECGQAQTMTMKK-CKWSZQMZSA-N
Compound name
(2Z)-2-(tert-butylhydrazinylidene)-N-(2,3-dimethoxyphenyl)-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

585.2475 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 586.25478 243.4
[M+Na]+ 608.23672 244.3
[M-H]- 584.24022 253.3
[M+NH4]+ 603.28132 243.9
[M+K]+ 624.21066 244.2
[M+H-H2O]+ 568.24476 231.1
[M+HCOO]- 630.24570 259.9
[M+CH3COO]- 644.26135 268.2
[M+Na-2H]- 606.22217 243.5
[M]+ 585.24695 248.9
[M]- 585.24805 248.9
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.