CID 3003851

Nsc144457

Structural Information

Molecular Formula
C38H30N2O6S2
SMILES
COC1=C(C=C2C/C(=C\3/CC4=C5C3=CC(=C(C5=CC=C4)OC)NS(=O)(=O)C6=CC=CC=C6)/C7=CC=CC1=C27)NS(=O)(=O)C8=CC=CC=C8
InChI
InChI=1S/C38H30N2O6S2/c1-45-37-29-18-10-16-27-30(20-24(36(27)29)21-33(37)39-47(41,42)25-12-5-3-6-13-25)31-19-23-11-9-17-28-35(23)32(31)22-34(38(28)46-2)40-48(43,44)26-14-7-4-8-15-26/h3-18,21-22,39-40H,19-20H2,1-2H3/b31-30+
InChIKey
HYHGSYLXLXLJBA-NVQSTNCTSA-N
Compound name
N-[(1E)-1-[7-(benzenesulfonamido)-6-methoxy-2H-acenaphthylen-1-ylidene]-5-methoxy-2H-acenaphthylen-4-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

674.15454 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 675.16182 253.7
[M+Na]+ 697.14376 259.4
[M-H]- 673.14726 266.8
[M+NH4]+ 692.18836 260.2
[M+K]+ 713.11770 255.2
[M+H-H2O]+ 657.15180 246.5
[M+HCOO]- 719.15274 261.9
[M+CH3COO]- 733.16839 258.8
[M+Na-2H]- 695.12921 260.7
[M]+ 674.15399 263.6
[M]- 674.15509 263.6
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.