CID 5470106

Nsc697664

Structural Information

Molecular Formula
C36H32N2O6
SMILES
CCOC1=C(C2=C(C=C(C=C2)/C=C(/C(=O)OCC)\C#N)C=C1)C3=C(C=CC4=C3C=CC(=C4)/C=C(/C(=O)OCC)\C#N)OCC
InChI
InChI=1S/C36H32N2O6/c1-5-41-31-15-11-25-17-23(19-27(21-37)35(39)43-7-3)9-13-29(25)33(31)34-30-14-10-24(20-28(22-38)36(40)44-8-4)18-26(30)12-16-32(34)42-6-2/h9-20H,5-8H2,1-4H3/b27-19+,28-20+
InChIKey
IQMVHKXLWWCKLA-MKYUKRCKSA-N
Compound name
ethyl (E)-2-cyano-3-[5-[6-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethoxynaphthalen-1-yl]-6-ethoxynaphthalen-2-yl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

588.226 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 589.23328 244.7
[M+Na]+ 611.21522 253.1
[M-H]- 587.21872 247.8
[M+NH4]+ 606.25982 247.0
[M+K]+ 627.18916 242.9
[M+H-H2O]+ 571.22326 226.3
[M+HCOO]- 633.22420 250.8
[M+CH3COO]- 647.23985 265.1
[M+Na-2H]- 609.20067 238.0
[M]+ 588.22545 241.5
[M]- 588.22655 241.5
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.