CID 249423

Diethyl 2-acetamido-2-(9-fluorenyl)malonate

Structural Information

Molecular Formula
C22H23NO5
SMILES
CCOC(=O)C(C1C2=CC=CC=C2C3=CC=CC=C13)(C(=O)OCC)NC(=O)C
InChI
InChI=1S/C22H23NO5/c1-4-27-20(25)22(23-14(3)24,21(26)28-5-2)19-17-12-8-6-10-15(17)16-11-7-9-13-18(16)19/h6-13,19H,4-5H2,1-3H3,(H,23,24)
InChIKey
PIDILKQZANKQKU-UHFFFAOYSA-N
Compound name
diethyl 2-acetamido-2-(9H-fluoren-9-yl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.15762 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.16490 191.7
[M+Na]+ 404.14684 196.6
[M-H]- 380.15034 196.5
[M+NH4]+ 399.19144 206.6
[M+K]+ 420.12078 194.1
[M+H-H2O]+ 364.15488 184.9
[M+HCOO]- 426.15582 210.0
[M+CH3COO]- 440.17147 221.5
[M+Na-2H]- 402.13229 193.8
[M]+ 381.15707 196.9
[M]- 381.15817 196.9
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.