CID 5388205

Nsc633486

Structural Information

Molecular Formula
C28H24N2O
SMILES
CC1=C(C2=CC=CC=C2N1)C3CC4=CC=CC=C4N3C(=O)/C=C/C=C/C5=CC=CC=C5
InChI
InChI=1S/C28H24N2O/c1-20-28(23-15-7-8-16-24(23)29-20)26-19-22-14-6-9-17-25(22)30(26)27(31)18-10-5-13-21-11-3-2-4-12-21/h2-18,26,29H,19H2,1H3/b13-5+,18-10+
InChIKey
OYVODWJYQVPYKM-KYSZAUAASA-N
Compound name
(2E,4E)-1-[2-(2-methyl-1H-indol-3-yl)-2,3-dihydroindol-1-yl]-5-phenylpenta-2,4-dien-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.18887 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.19615 203.2
[M+Na]+ 427.17809 211.0
[M-H]- 403.18159 211.1
[M+NH4]+ 422.22269 215.8
[M+K]+ 443.15203 200.8
[M+H-H2O]+ 387.18613 193.2
[M+HCOO]- 449.18707 220.5
[M+CH3COO]- 463.20272 211.8
[M+Na-2H]- 425.16354 200.9
[M]+ 404.18832 202.5
[M]- 404.18942 202.5
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.