CID 10926929

Diethyl n-(4-(4-oxobutyl)benzoyl)-l-glutamate

Structural Information

Molecular Formula
C20H27NO6
SMILES
CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCCC=O
InChI
InChI=1S/C20H27NO6/c1-3-26-18(23)13-12-17(20(25)27-4-2)21-19(24)16-10-8-15(9-11-16)7-5-6-14-22/h8-11,14,17H,3-7,12-13H2,1-2H3,(H,21,24)/t17-/m0/s1
InChIKey
ZQIWUAMQMRFJEB-KRWDZBQOSA-N
Compound name
diethyl (2S)-2-[[4-(4-oxobutyl)benzoyl]amino]pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.18384 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.19112 190.5
[M+Na]+ 400.17306 197.2
[M+NH4]+ 395.21766 193.2
[M+K]+ 416.14700 193.4
[M-H]- 376.17656 188.7
[M+Na-2H]- 398.15851 191.4
[M]+ 377.18329 190.3
[M]- 377.18439 190.3
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.