CID 132346560

2000175-42-6

Structural Information

Molecular Formula
C23H25NO5
SMILES
COC(CC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C4CC4
InChI
InChI=1S/C23H25NO5/c1-28-21(14-10-11-14)12-20(22(25)26)24-23(27)29-13-19-17-8-4-2-6-15(17)16-7-3-5-9-18(16)19/h2-9,14,19-21H,10-13H2,1H3,(H,24,27)(H,25,26)
InChIKey
ORNJJNYXYQHEIC-UHFFFAOYSA-N
Compound name
4-cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methoxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17328 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 187.4
[M+Na]+ 418.16250 192.3
[M-H]- 394.16600 194.0
[M+NH4]+ 413.20710 196.1
[M+K]+ 434.13644 187.8
[M+H-H2O]+ 378.17054 180.9
[M+HCOO]- 440.17148 204.5
[M+CH3COO]- 454.18713 224.1
[M+Na-2H]- 416.14795 187.3
[M]+ 395.17273 192.9
[M]- 395.17383 192.9
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

No patent data available for this compound.