CID 107432798

1-{[(9h-fluoren-9-yl)methoxy]carbonyl}-5-oxopiperazine-2-carboxylic acid

Structural Information

Molecular Formula
C20H18N2O5
SMILES
C1C(N(CC(=O)N1)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C20H18N2O5/c23-18-10-22(17(9-21-18)19(24)25)20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H,21,23)(H,24,25)
InChIKey
RGXWBCPDGLOCRF-UHFFFAOYSA-N
Compound name
1-(9H-fluoren-9-ylmethoxycarbonyl)-5-oxopiperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

366.12158 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.12886 183.9
[M+Na]+ 389.11080 189.5
[M-H]- 365.11430 186.7
[M+NH4]+ 384.15540 195.3
[M+K]+ 405.08474 184.4
[M+H-H2O]+ 349.11884 175.3
[M+HCOO]- 411.11978 195.8
[M+CH3COO]- 425.13543 210.8
[M+Na-2H]- 387.09625 183.6
[M]+ 366.12103 181.6
[M]- 366.12213 181.6
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.