CID 63310785

1480400-34-7

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

38
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 187.6
[M-H]- 354.13469 186.4
[M+NH4]+ 373.17579 198.1
[M+K]+ 394.10513 184.7
[M+H-H2O]+ 338.13923 175.9
[M+HCOO]- 400.14017 201.9
[M+CH3COO]- 414.15582 214.3
[M+Na-2H]- 376.11664 184.5
[M]+ 355.14142 186.9
[M]- 355.14252 186.9
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