CID 21106210

2-[4-[(fmoc-amino)methyl]phenoxy]acetic acid

Structural Information

Molecular Formula
C24H21NO5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NCC4=CC=C(C=C4)OCC(=O)O
InChI
InChI=1S/C24H21NO5/c26-23(27)15-29-17-11-9-16(10-12-17)13-25-24(28)30-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22/h1-12,22H,13-15H2,(H,25,28)(H,26,27)
InChIKey
UMEWMJIMNNHEBO-UHFFFAOYSA-N
Compound name
2-[4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]phenoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

403.14197 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.149246 194.3
[M+Na]+ 426.131188 199.3
[M-H]- 402.134694 201.1
[M+NH4]+ 421.175793 207.1
[M+K]+ 442.105128 194.9
[M+H-H2O]+ 386.139230 185.6
[M+HCOO]- 448.140171 214.0
[M+CH3COO]- 462.155821 222.7
[M+Na-2H]- 424.116636 196.5
[M]+ 403.14142142 197.8
[M]- 403.14251858 197.8
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

patents stripe