CID 137698921

282525-01-3

Structural Information

Molecular Formula
C26H25NO4
SMILES
C1=CC=C(C=C1)CC(CC(=O)O)CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO4/c28-25(29)15-19(14-18-8-2-1-3-9-18)16-27-26(30)31-17-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h1-13,19,24H,14-17H2,(H,27,30)(H,28,29)
InChIKey
VQUQFRAHYHSLAP-UHFFFAOYSA-N
Compound name
3-benzyl-4-(9H-fluoren-9-ylmethoxycarbonylamino)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.17834 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18562 200.9
[M+Na]+ 438.16756 204.0
[M-H]- 414.17106 207.0
[M+NH4]+ 433.21216 212.9
[M+K]+ 454.14150 198.9
[M+H-H2O]+ 398.17560 192.1
[M+HCOO]- 460.17654 218.8
[M+CH3COO]- 474.19219 225.9
[M+Na-2H]- 436.15301 201.3
[M]+ 415.17779 202.6
[M]- 415.17889 202.6
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.