CID 63310785

2-{[(9h-fluoren-9-ylmethoxy)carbonyl]amino}-4-methoxybutanoic acid

Structural Information

Molecular Formula
C20H21NO5
SMILES
COCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C20H21NO5/c1-25-11-10-18(19(22)23)21-20(24)26-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)
InChIKey
JBIRUWVMQYLPPX-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

355.14197 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14925 183.0
[M+Na]+ 378.13119 192.0
[M+NH4]+ 373.17579 189.0
[M+K]+ 394.10513 188.7
[M-H]- 354.13469 183.6
[M+Na-2H]- 376.11664 185.1
[M]+ 355.14142 184.0
[M]- 355.14252 184.0
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