CID 381611

Nsc668424

Structural Information

Molecular Formula
C34H51N5O13
SMILES
CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)NNC(=O)OC(C)(C)C)NC(=O)C(CCC(=O)OCC)NC(=O)OCC1=CC=CC=C1
InChI
InChI=1S/C34H51N5O13/c1-7-48-26(40)18-15-23(29(43)36-25(17-20-28(42)50-9-3)31(45)38-39-33(47)52-34(4,5)6)35-30(44)24(16-19-27(41)49-8-2)37-32(46)51-21-22-13-11-10-12-14-22/h10-14,23-25H,7-9,15-21H2,1-6H3,(H,35,44)(H,36,43)(H,37,46)(H,38,45)(H,39,47)
InChIKey
PHIMBOLVZPLTLR-UHFFFAOYSA-N
Compound name
ethyl 5-[[5-ethoxy-1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-1,5-dioxopentan-2-yl]amino]-4-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

737.3483 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 738.35558 253.6
[M+Na]+ 760.33752 269.6
[M-H]- 736.34102 275.3
[M+NH4]+ 755.38212 274.5
[M+K]+ 776.31146 263.8
[M+H-H2O]+ 720.34556 256.0
[M+HCOO]- 782.34650 240.6
[M+CH3COO]- 796.36215 292.5
[M+Na-2H]- 758.32297 285.0
[M]+ 737.34775 249.4
[M]- 737.34885 249.4
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.