CID 154726497

2171190-15-9

Structural Information

Molecular Formula
C21H23NO6
SMILES
COCCOC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H23NO6/c1-26-10-11-27-13-19(20(23)24)22-21(25)28-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-9,18-19H,10-13H2,1H3,(H,22,25)(H,23,24)/t19-/m0/s1
InChIKey
BSRFKEJZYVPXEN-IBGZPJMESA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methoxyethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.15253 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.159806 189.7
[M+Na]+ 408.141748 193.5
[M-H]- 384.145254 192.8
[M+NH4]+ 403.186353 203.4
[M+K]+ 424.115688 191.2
[M+H-H2O]+ 368.149790 182.2
[M+HCOO]- 430.150731 208.4
[M+CH3COO]- 444.166381 219.4
[M+Na-2H]- 406.127196 191.0
[M]+ 385.15198142 195.3
[M]- 385.15307858 195.3
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.