CID 6449127

Dimethyl n-((4e)-5-(2-furanyl)-3-oxo-4-pentenyl)-l-glutamate

Structural Information

Molecular Formula
C16H21NO6
SMILES
COC(=O)CC[C@@H](C(=O)OC)NCCC(=O)/C=C/C1=CC=CO1
InChI
InChI=1S/C16H21NO6/c1-21-15(19)8-7-14(16(20)22-2)17-10-9-12(18)5-6-13-4-3-11-23-13/h3-6,11,14,17H,7-10H2,1-2H3/b6-5+/t14-/m0/s1
InChIKey
USGFARVCQPYQBZ-GJBLVYBDSA-N
Compound name
dimethyl (2S)-2-[[(E)-5-(furan-2-yl)-3-oxopent-4-enyl]amino]pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1369 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.14418 178.5
[M+Na]+ 346.12612 181.6
[M-H]- 322.12962 181.6
[M+NH4]+ 341.17072 192.0
[M+K]+ 362.10006 181.9
[M+H-H2O]+ 306.13416 171.1
[M+HCOO]- 368.13510 199.5
[M+CH3COO]- 382.15075 207.8
[M+Na-2H]- 344.11157 177.3
[M]+ 323.13635 184.4
[M]- 323.13745 184.4
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.