CID 11824733

136497-85-3

Structural Information

Molecular Formula
C21H21NO5
SMILES
C=CCOC(=O)[C@H](CO)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H21NO5/c1-2-11-26-20(24)19(12-23)22-21(25)27-13-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h2-10,18-19,23H,1,11-13H2,(H,22,25)/t19-/m0/s1
InChIKey
HJPQKBAZSODTJO-IBGZPJMESA-N
Compound name
prop-2-enyl (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

17
Patents

367.14197 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.14925 186.8
[M+Na]+ 390.13119 191.3
[M-H]- 366.13469 190.1
[M+NH4]+ 385.17579 201.4
[M+K]+ 406.10513 187.6
[M+H-H2O]+ 350.13923 179.6
[M+HCOO]- 412.14017 205.5
[M+CH3COO]- 426.15582 215.9
[M+Na-2H]- 388.11664 187.8
[M]+ 367.14142 190.2
[M]- 367.14252 190.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe