CID 15922550

Fmoc-d-isogln-oh

Structural Information

Molecular Formula
C20H20N2O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@H](CCC(=O)O)C(=O)N
InChI
InChI=1S/C20H20N2O5/c21-19(25)17(9-10-18(23)24)22-20(26)27-11-16-14-7-3-1-5-12(14)13-6-2-4-8-15(13)16/h1-8,16-17H,9-11H2,(H2,21,25)(H,22,26)(H,23,24)/t17-/m1/s1
InChIKey
MZRFDZFXTSDMFA-QGZVFWFLSA-N
Compound name
(4R)-5-amino-4-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

368.1372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.144476 184.8
[M+Na]+ 391.126418 188.4
[M-H]- 367.129924 187.7
[M+NH4]+ 386.171023 198.5
[M+K]+ 407.100358 185.5
[M+H-H2O]+ 351.134460 177.6
[M+HCOO]- 413.135401 203.2
[M+CH3COO]- 427.151051 219.5
[M+Na-2H]- 389.111866 185.0
[M]+ 368.13665142 185.7
[M]- 368.13774858 185.7
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

patents stripe