CID 51340556

5-methyl hydrogen n-[(9h-fluoren-9-ylmethoxy)carbonyl]-l-glutamate

Structural Information

Molecular Formula
C21H21NO6
SMILES
COC(=O)CC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
InChI
InChI=1S/C21H21NO6/c1-27-19(23)11-10-18(20(24)25)22-21(26)28-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,22,26)(H,24,25)/t18-/m0/s1
InChIKey
RULINAWEYRMHHQ-SFHVURJKSA-N
Compound name
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-5-methoxy-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

103
Patents

383.1369 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.14418 189.2
[M+Na]+ 406.12612 193.1
[M-H]- 382.12962 192.5
[M+NH4]+ 401.17072 203.0
[M+K]+ 422.10006 190.9
[M+H-H2O]+ 366.13416 182.1
[M+HCOO]- 428.13510 207.1
[M+CH3COO]- 442.15075 219.1
[M+Na-2H]- 404.11157 189.4
[M]+ 383.13635 193.5
[M]- 383.13745 193.5
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