CID 385014

Nsc675868

Structural Information

Molecular Formula
C24H20FNO6
SMILES
CC1=C(C(C(=C(N1)CF)C(=O)OC)C2=CC=CC3=C2OC4=CC=CC=C4C3=O)C(=O)OC
InChI
InChI=1S/C24H20FNO6/c1-12-18(23(28)30-2)19(20(24(29)31-3)16(11-25)26-12)14-8-6-9-15-21(27)13-7-4-5-10-17(13)32-22(14)15/h4-10,19,26H,11H2,1-3H3
InChIKey
ZKKUXDWRQPUELU-UHFFFAOYSA-N
Compound name
dimethyl 2-(fluoromethyl)-6-methyl-4-(9-oxoxanthen-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

437.12747 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 438.13475 203.4
[M+Na]+ 460.11669 213.3
[M-H]- 436.12019 209.5
[M+NH4]+ 455.16129 211.5
[M+K]+ 476.09063 209.6
[M+H-H2O]+ 420.12473 192.1
[M+HCOO]- 482.12567 217.9
[M+CH3COO]- 496.14132 230.7
[M+Na-2H]- 458.10214 204.6
[M]+ 437.12692 209.1
[M]- 437.12802 209.1
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.