CID 9555801

Nsc630357

Structural Information

Molecular Formula
C32H31N3O5
SMILES
CC1=CC(=C(C=C1)C)NC(=O)CC/C(=N\NC(=O)C2=C(C=CC3=CC=CC=C32)O)/C(C)C(=O)C4=CC=C(C=C4)O
InChI
InChI=1S/C32H31N3O5/c1-19-8-9-20(2)27(18-19)33-29(38)17-15-26(21(3)31(39)23-10-13-24(36)14-11-23)34-35-32(40)30-25-7-5-4-6-22(25)12-16-28(30)37/h4-14,16,18,21,36-37H,15,17H2,1-3H3,(H,33,38)(H,35,40)/b34-26+
InChIKey
DARIHMOCHDYXKU-JJNGWGCYSA-N
Compound name
N-[(E)-[6-(2,5-dimethylanilino)-1-(4-hydroxyphenyl)-2-methyl-1,6-dioxohexan-3-ylidene]amino]-2-hydroxynaphthalene-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.2264 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.23368 231.1
[M+Na]+ 560.21562 231.8
[M-H]- 536.21912 239.0
[M+NH4]+ 555.26022 234.2
[M+K]+ 576.18956 228.4
[M+H-H2O]+ 520.22366 219.7
[M+HCOO]- 582.22460 247.8
[M+CH3COO]- 596.24025 258.9
[M+Na-2H]- 558.20107 228.0
[M]+ 537.22585 231.2
[M]- 537.22695 231.2
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.