CID 57350117

477578-53-3

Structural Information

Molecular Formula
C27H25NO4
SMILES
C=CC[C@](C(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)(C(=O)OCC4=CC=CC=C4)N
InChI
InChI=1S/C27H25NO4/c1-2-16-27(28,25(29)31-17-19-10-4-3-5-11-19)26(30)32-18-24-22-14-8-6-12-20(22)21-13-7-9-15-23(21)24/h2-15,24H,1,16-18,28H2/t27-/m1/s1
InChIKey
JRZPEIQVIQLWLM-HHHXNRCGSA-N
Compound name
3-O-benzyl 1-O-(9H-fluoren-9-ylmethyl) (2S)-2-amino-2-prop-2-enylpropanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.17834 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.18562 206.2
[M+Na]+ 450.16756 210.3
[M-H]- 426.17106 213.1
[M+NH4]+ 445.21216 218.2
[M+K]+ 466.14150 204.9
[M+H-H2O]+ 410.17560 197.4
[M+HCOO]- 472.17654 224.1
[M+CH3COO]- 486.19219 229.4
[M+Na-2H]- 448.15301 207.6
[M]+ 427.17779 208.4
[M]- 427.17889 208.4
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.