CID 137628700

1607004-16-9

Structural Information

Molecular Formula
C22H25NO5
SMILES
CC(C)COC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C22H25NO5/c1-14(2)11-27-13-20(21(24)25)23-22(26)28-12-19-17-9-5-3-7-15(17)16-8-4-6-10-18(16)19/h3-10,14,19-20H,11-13H2,1-2H3,(H,23,26)(H,24,25)/t20-/m0/s1
InChIKey
JQXWQHMUXWWMBY-FQEVSTJZSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(2-methylpropoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.17328 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.18056 191.3
[M+Na]+ 406.16250 199.5
[M+NH4]+ 401.20710 196.8
[M+K]+ 422.13644 196.6
[M-H]- 382.16600 191.6
[M+Na-2H]- 404.14795 192.5
[M]+ 383.17273 192.1
[M]- 383.17383 192.1
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.