CID 132351144

2137470-37-0

Structural Information

Molecular Formula
C21H20N2O5
SMILES
CN1CC(N(CC1=O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C21H20N2O5/c1-22-10-18(20(25)26)23(11-19(22)24)21(27)28-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,25,26)
InChIKey
UJBSYYVOTQAZGU-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-4-methyl-5-oxopiperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.1372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.14448 188.8
[M+Na]+ 403.12642 195.2
[M-H]- 379.12992 193.1
[M+NH4]+ 398.17102 200.6
[M+K]+ 419.10036 190.8
[M+H-H2O]+ 363.13446 180.0
[M+HCOO]- 425.13540 201.8
[M+CH3COO]- 439.15105 217.2
[M+Na-2H]- 401.11187 187.6
[M]+ 380.13665 189.0
[M]- 380.13775 189.0
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.