CID 381640

Nsc668461

Structural Information

Molecular Formula
C22H32N4O8
SMILES
CCOC(=O)CCC(C(=O)NN)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C22H32N4O8/c1-3-32-18(27)12-10-16(25-22(31)34-14-15-8-6-5-7-9-15)20(29)24-17(21(30)26-23)11-13-19(28)33-4-2/h5-9,16-17H,3-4,10-14,23H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)
InChIKey
JKHZLJSZSBEUST-UHFFFAOYSA-N
Compound name
ethyl 4-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-hydrazinyl-5-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.22202 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.22930 213.9
[M+Na]+ 503.21124 210.9
[M-H]- 479.21474 214.7
[M+NH4]+ 498.25584 220.6
[M+K]+ 519.18518 212.9
[M+H-H2O]+ 463.21928 203.5
[M+HCOO]- 525.22022 210.4
[M+CH3COO]- 539.23587 245.7
[M+Na-2H]- 501.19669 208.6
[M]+ 480.22147 217.1
[M]- 480.22257 217.1
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.