CID 362103

Nsc625631

Structural Information

Molecular Formula
C22H22O4
SMILES
CC1=C2C3=CC=CC=C3C(C2=C(C=C1)C)(CCC(=O)C)C(=O)C(=O)OC
InChI
InChI=1S/C22H22O4/c1-13-9-10-14(2)19-18(13)16-7-5-6-8-17(16)22(19,12-11-15(3)23)20(24)21(25)26-4/h5-10H,11-12H2,1-4H3
InChIKey
CJOBWFVDSQCCQO-UHFFFAOYSA-N
Compound name
methyl 2-[1,4-dimethyl-9-(3-oxobutyl)fluoren-9-yl]-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.1518 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.15908 183.8
[M+Na]+ 373.14102 192.4
[M-H]- 349.14452 189.5
[M+NH4]+ 368.18562 203.0
[M+K]+ 389.11496 188.5
[M+H-H2O]+ 333.14906 177.9
[M+HCOO]- 395.15000 202.5
[M+CH3COO]- 409.16565 217.2
[M+Na-2H]- 371.12647 183.8
[M]+ 350.15125 190.0
[M]- 350.15235 190.0
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.