CID 381610

Nsc668423

Structural Information

Molecular Formula
C27H40N4O10
SMILES
CCOC(=O)CCC(C(=O)NNC(=O)OC(C)(C)C)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C27H40N4O10/c1-6-38-21(32)15-13-19(29-25(36)40-17-18-11-9-8-10-12-18)23(34)28-20(14-16-22(33)39-7-2)24(35)30-31-26(37)41-27(3,4)5/h8-12,19-20H,6-7,13-17H2,1-5H3,(H,28,34)(H,29,36)(H,30,35)(H,31,37)
InChIKey
VIYCSFGZWQRWTC-UHFFFAOYSA-N
Compound name
ethyl 4-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-5-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

580.2744 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 581.28168 228.2
[M+Na]+ 603.26362 243.7
[M-H]- 579.26712 243.9
[M+NH4]+ 598.30822 243.4
[M+K]+ 619.23756 235.3
[M+H-H2O]+ 563.27166 230.3
[M+HCOO]- 625.27260 225.7
[M+CH3COO]- 639.28825 262.4
[M+Na-2H]- 601.24907 221.1
[M]+ 580.27385 222.7
[M]- 580.27495 222.7
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.