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]+ 381.144476 188.8
[M+Na]+ 403.126418 195.2
[M-H]- 379.129924 193.1
[M+NH4]+ 398.171023 200.6
[M+K]+ 419.100358 190.8
[M+H-H2O]+ 363.134460 180.0
[M+HCOO]- 425.135401 201.8
[M+CH3COO]- 439.151051 217.2
[M+Na-2H]- 401.111866 187.6
[M]+ 380.13665142 189.0
[M]- 380.13774858 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.