CID 6477480

Nsc670346

Structural Information

Molecular Formula
C24H22O3
SMILES
COC(=O)C1=CC(=CC2=C1CCC2)/C=C\3/CC4=C(C3=O)C=C5CCCC5=C4
InChI
InChI=1S/C24H22O3/c1-27-24(26)22-10-14(8-17-6-3-7-20(17)22)9-19-12-18-11-15-4-2-5-16(15)13-21(18)23(19)25/h8-11,13H,2-7,12H2,1H3/b19-9-
InChIKey
SLVZSMHBJJVTAJ-OCKHKDLRSA-N
Compound name
methyl 6-[(Z)-(3-oxo-1,5,6,7-tetrahydro-s-indacen-2-ylidene)methyl]-2,3-dihydro-1H-indene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.1569 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.16418 189.5
[M+Na]+ 381.14612 196.8
[M-H]- 357.14962 199.3
[M+NH4]+ 376.19072 210.5
[M+K]+ 397.12006 190.4
[M+H-H2O]+ 341.15416 184.4
[M+HCOO]- 403.15510 207.6
[M+CH3COO]- 417.17075 200.3
[M+Na-2H]- 379.13157 184.7
[M]+ 358.15635 189.7
[M]- 358.15745 189.7
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.