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

39
Patents

368.1372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.14448 184.8
[M+Na]+ 391.12642 188.4
[M-H]- 367.12992 187.7
[M+NH4]+ 386.17102 198.5
[M+K]+ 407.10036 185.5
[M+H-H2O]+ 351.13446 177.6
[M+HCOO]- 413.13540 203.2
[M+CH3COO]- 427.15105 219.5
[M+Na-2H]- 389.11187 185.0
[M]+ 368.13665 185.7
[M]- 368.13775 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