CID 24229782

(2s)-1-[(9h-fluoren-9-ylmethoxy)carbonyl]-4-[(allyloxy)carbonyl]piperazine-2-carboxylic acid

Structural Information

Molecular Formula
C24H24N2O6
SMILES
C=CCOC(=O)N1CCN([C@@H](C1)C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C24H24N2O6/c1-2-13-31-23(29)25-11-12-26(21(14-25)22(27)28)24(30)32-15-20-18-9-5-3-7-16(18)17-8-4-6-10-19(17)20/h2-10,20-21H,1,11-15H2,(H,27,28)/t21-/m0/s1
InChIKey
HQKQHTTWUFGNQG-NRFANRHFSA-N
Compound name
(2S)-1-(9H-fluoren-9-ylmethoxycarbonyl)-4-prop-2-enoxycarbonylpiperazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.16342 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.170696 203.0
[M+Na]+ 459.152638 206.8
[M-H]- 435.156144 206.4
[M+NH4]+ 454.197243 211.8
[M+K]+ 475.126578 202.6
[M+H-H2O]+ 419.160680 193.5
[M+HCOO]- 481.161621 214.2
[M+CH3COO]- 495.177271 225.9
[M+Na-2H]- 457.138086 200.2
[M]+ 436.16287142 203.6
[M]- 436.16396858 203.6
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.