CID 6477521

Nsc682512

Structural Information

Molecular Formula
C26H23NO2
SMILES
CC\1(C2=CC=CC=C2N(/C1=C\C=C\C=C\C=C3C(=O)C4=CC=CC=C4C3=O)C)C
InChI
InChI=1S/C26H23NO2/c1-26(2)21-15-10-11-16-22(21)27(3)23(26)17-7-5-4-6-14-20-24(28)18-12-8-9-13-19(18)25(20)29/h4-17H,1-3H3/b6-4+,7-5+,23-17-
InChIKey
MGZOKNHCACVLNG-AWOCVAFCSA-N
Compound name
2-[(2E,4E,6Z)-6-(1,3,3-trimethylindol-2-ylidene)hexa-2,4-dienylidene]indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.17288 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.18016 196.2
[M+Na]+ 404.16210 206.3
[M-H]- 380.16560 203.8
[M+NH4]+ 399.20670 214.9
[M+K]+ 420.13604 196.6
[M+H-H2O]+ 364.17014 189.0
[M+HCOO]- 426.17108 214.9
[M+CH3COO]- 440.18673 219.9
[M+Na-2H]- 402.14755 193.0
[M]+ 381.17233 197.0
[M]- 381.17343 197.0
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.