CID 103666338

1698661-26-5

Structural Information

Molecular Formula
C23H25NO5
SMILES
C1CC(COC1)CC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24
InChI
InChI=1S/C23H25NO5/c25-22(26)21(12-15-6-5-11-28-13-15)24-23(27)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-4,7-10,15,20-21H,5-6,11-14H2,(H,24,27)(H,25,26)
InChIKey
IXHNTGVDKQYUCY-UHFFFAOYSA-N
Compound name
2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(oxan-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.17328 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.18056 192.1
[M+Na]+ 418.16250 193.8
[M-H]- 394.16600 198.2
[M+NH4]+ 413.20710 203.5
[M+K]+ 434.13644 191.3
[M+H-H2O]+ 378.17054 184.1
[M+HCOO]- 440.17148 206.1
[M+CH3COO]- 454.18713 220.9
[M+Na-2H]- 416.14795 192.2
[M]+ 395.17273 190.8
[M]- 395.17383 190.8
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

No patent data available for this compound.