CID 75413

Diethyl n-[4-(methylamino)benzoyl]-l-glutamate

Structural Information

Molecular Formula
C17H24N2O5
SMILES
CCOC(=O)CC[C@@H](C(=O)OCC)NC(=O)C1=CC=C(C=C1)NC
InChI
InChI=1S/C17H24N2O5/c1-4-23-15(20)11-10-14(17(22)24-5-2)19-16(21)12-6-8-13(18-3)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3,(H,19,21)/t14-/m0/s1
InChIKey
WBYNXAAEBPJETG-AWEZNQCLSA-N
Compound name
diethyl (2S)-2-[[4-(methylamino)benzoyl]amino]pentanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

52
Patents

336.16852 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.17580 181.0
[M+Na]+ 359.15774 183.6
[M-H]- 335.16124 183.6
[M+NH4]+ 354.20234 193.5
[M+K]+ 375.13168 183.1
[M+H-H2O]+ 319.16578 172.7
[M+HCOO]- 381.16672 202.6
[M+CH3COO]- 395.18237 215.9
[M+Na-2H]- 357.14319 180.1
[M]+ 336.16797 184.9
[M]- 336.16907 184.9
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