CID 121604568

3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)-2-[(2-methylphenyl)methyl]propanoic acid

Structural Information

Molecular Formula
C26H25NO4
SMILES
CC1=CC=CC=C1CC(CNC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)C(=O)O
InChI
InChI=1S/C26H25NO4/c1-17-8-2-3-9-18(17)14-19(25(28)29)15-27-26(30)31-16-24-22-12-6-4-10-20(22)21-11-5-7-13-23(21)24/h2-13,19,24H,14-16H2,1H3,(H,27,30)(H,28,29)
InChIKey
BOMGOVLIMBPPHJ-UHFFFAOYSA-N
Compound name
2-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]-3-(2-methylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.17834 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.18562 201.4
[M+Na]+ 438.16756 205.4
[M-H]- 414.17106 207.8
[M+NH4]+ 433.21216 213.7
[M+K]+ 454.14150 200.4
[M+H-H2O]+ 398.17560 192.8
[M+HCOO]- 460.17654 219.2
[M+CH3COO]- 474.19219 227.2
[M+Na-2H]- 436.15301 201.1
[M]+ 415.17779 203.5
[M]- 415.17889 203.5
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.