CID 171039478

Methyl 2-[(e)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]-[4-(diethylamino)phenyl]methyl]benzoate

Structural Information

Molecular Formula
C29H34N2O3
SMILES
CCN(CC)C1=CC=C(C=C1)/C(=C\2/C=CC(=CC2=O)N(CC)CC)/C3=CC=CC=C3C(=O)OC
InChI
InChI=1S/C29H34N2O3/c1-6-30(7-2)22-16-14-21(15-17-22)28(24-12-10-11-13-25(24)29(33)34-5)26-19-18-23(20-27(26)32)31(8-3)9-4/h10-20H,6-9H2,1-5H3/b28-26+
InChIKey
UQWCRWTZORYBED-BYCLXTJYSA-N
Compound name
methyl 2-[(E)-[4-(diethylamino)-6-oxocyclohexa-2,4-dien-1-ylidene]-[4-(diethylamino)phenyl]methyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.25696 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.26424 216.0
[M+Na]+ 481.24618 228.0
[M+NH4]+ 476.29078 221.7
[M+K]+ 497.22012 220.1
[M-H]- 457.24968 222.8
[M+Na-2H]- 479.23163 223.7
[M]+ 458.25641 219.5
[M]- 458.25751 219.5
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.