CID 46937133

[n-(3-dibenzylcarbamoyl-oxiranecarbonyl)-hydrazino]-acetic acid

Structural Information

Molecular Formula
C20H23N3O5
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)[C@H](CC(=O)N(CC(=O)O)N)O
InChI
InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1
InChIKey
JGMMFVVACJREFE-KRWDZBQOSA-N
Compound name
2-[amino-[(3S)-4-(dibenzylamino)-3-hydroxy-4-oxobutanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.16376 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.17104 191.3
[M+Na]+ 408.15298 191.1
[M-H]- 384.15648 196.1
[M+NH4]+ 403.19758 199.9
[M+K]+ 424.12692 190.9
[M+H-H2O]+ 368.16102 181.5
[M+HCOO]- 430.16196 211.6
[M+CH3COO]- 444.17761 227.0
[M+Na-2H]- 406.13843 189.6
[M]+ 385.16321 190.4
[M]- 385.16431 190.4
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

No patent data available for this compound.