CID 2724775

N2-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-glutamine

Structural Information

Molecular Formula
C20H20N2O5
SMILES
C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C20H20N2O5/c21-18(23)10-9-17(19(24)25)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,(H2,21,23)(H,22,26)(H,24,25)/t17-/m0/s1
InChIKey
IZKGGDFLLNVXNZ-KRWDZBQOSA-N
Compound name
(2S)-5-amino-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1106
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

literature stripe

Patent stripe

patents stripe