CID 11339347

477578-53-3

Structural Information

Molecular Formula
C27H25NO4
SMILES
C=CC[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C27H25NO4/c1-2-10-25(26(29)31-17-19-11-4-3-5-12-19)28-27(30)32-18-24-22-15-8-6-13-20(22)21-14-7-9-16-23(21)24/h2-9,11-16,24-25H,1,10,17-18H2,(H,28,30)/t25-/m0/s1
InChIKey
NTOCLTIRCOQHPW-VWLOTQADSA-N
Compound name
benzyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

427.17834 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.18562 205.6
[M+Na]+ 450.16756 209.1
[M-H]- 426.17106 212.8
[M+NH4]+ 445.21216 217.8
[M+K]+ 466.14150 203.8
[M+H-H2O]+ 410.17560 196.3
[M+HCOO]- 472.17654 224.7
[M+CH3COO]- 486.19219 229.7
[M+Na-2H]- 448.15301 205.7
[M]+ 427.17779 208.5
[M]- 427.17889 208.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe