CID 21156054

Ns00062766

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC(C)OC(C)[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO5/c1-13(2)28-14(3)20(21(24)25)23-22(26)27-12-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,13-14,19-20H,12H2,1-3H3,(H,23,26)(H,24,25)/t14?,20-/m0/s1
InChIKey
XNZOLOOOHPFSGH-LGTGAQBVSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-propan-2-yloxybutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.17328 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.180556 192.7
[M+Na]+ 406.162498 195.7
[M-H]- 382.166004 195.9
[M+NH4]+ 401.207103 206.5
[M+K]+ 422.136438 193.7
[M+H-H2O]+ 366.170540 185.8
[M+HCOO]- 428.171481 208.8
[M+CH3COO]- 442.187131 222.1
[M+Na-2H]- 404.147946 190.9
[M]+ 383.17273142 196.0
[M]- 383.17382858 196.0
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.