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]+ 437.17070 203.0
[M+Na]+ 459.15264 206.8
[M-H]- 435.15614 206.4
[M+NH4]+ 454.19724 211.8
[M+K]+ 475.12658 202.6
[M+H-H2O]+ 419.16068 193.5
[M+HCOO]- 481.16162 214.2
[M+CH3COO]- 495.17727 225.9
[M+Na-2H]- 457.13809 200.2
[M]+ 436.16287 203.6
[M]- 436.16397 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.