CID 6446572

1,3-butanedione, 2-((4-(dimethylamino)phenyl)methylene)-1-(2-phenyl-1h-indol-3-yl)-

Structural Information

Molecular Formula
C27H24N2O2
SMILES
CC(=O)/C(=C\C1=CC=C(C=C1)N(C)C)/C(=O)C2=C(NC3=CC=CC=C32)C4=CC=CC=C4
InChI
InChI=1S/C27H24N2O2/c1-18(30)23(17-19-13-15-21(16-14-19)29(2)3)27(31)25-22-11-7-8-12-24(22)28-26(25)20-9-5-4-6-10-20/h4-17,28H,1-3H3/b23-17+
InChIKey
IXEWIHPBTHPLML-HAVVHWLPSA-N
Compound name
(2E)-2-[[4-(dimethylamino)phenyl]methylidene]-1-(2-phenyl-1H-indol-3-yl)butane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.18378 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.19106 201.5
[M+Na]+ 431.17300 206.8
[M-H]- 407.17650 210.8
[M+NH4]+ 426.21760 212.2
[M+K]+ 447.14694 200.5
[M+H-H2O]+ 391.18104 191.4
[M+HCOO]- 453.18198 221.1
[M+CH3COO]- 467.19763 210.3
[M+Na-2H]- 429.15845 200.1
[M]+ 408.18323 202.4
[M]- 408.18433 202.4
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.