CID 165871776

3-({[(9h-fluoren-9-yl)methoxy]carbonyl}(methyl)amino)-4-phenylbutanoic acid

Structural Information

Molecular Formula
C26H25NO4
SMILES
CN(C(CC1=CC=CC=C1)CC(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C26H25NO4/c1-27(19(16-25(28)29)15-18-9-3-2-4-10-18)26(30)31-17-24-22-13-7-5-11-20(22)21-12-6-8-14-23(21)24/h2-14,19,24H,15-17H2,1H3,(H,28,29)
InChIKey
KHKQIMCJSIRPRX-UHFFFAOYSA-N
Compound name
3-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-phenylbutanoic 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 201.8
[M+Na]+ 438.16756 205.0
[M-H]- 414.17106 209.3
[M+NH4]+ 433.21216 214.4
[M+K]+ 454.14150 201.2
[M+H-H2O]+ 398.17560 192.9
[M+HCOO]- 460.17654 220.1
[M+CH3COO]- 474.19219 229.0
[M+Na-2H]- 436.15301 201.4
[M]+ 415.17779 204.7
[M]- 415.17889 204.7
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.