CID 391976

Nsc691698

Structural Information

Molecular Formula
C34H55N7O12
SMILES
CC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)CCC(=O)N(CCCCCNC(=O)C1=C(C(=C(C=C1)C(=O)NC)O)O)O)O)O
InChI
InChI=1S/C34H55N7O12/c1-24(42)39(51)21-9-3-6-18-36-27(43)14-16-29(45)40(52)22-10-4-7-19-37-28(44)15-17-30(46)41(53)23-11-5-8-20-38-34(50)26-13-12-25(33(49)35-2)31(47)32(26)48/h12-13,47-48,51-53H,3-11,14-23H2,1-2H3,(H,35,49)(H,36,43)(H,37,44)(H,38,50)
InChIKey
VSGMSRUQPCIDQZ-UHFFFAOYSA-N
Compound name
4-N-[5-[[4-[5-[[4-[5-[acetyl(hydroxy)amino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentylamino]-4-oxobutanoyl]-hydroxyamino]pentyl]-2,3-dihydroxy-1-N-methylbenzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

753.39087 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 754.39815 266.4
[M+Na]+ 776.38009 264.2
[M-H]- 752.38359 267.7
[M+NH4]+ 771.42469 267.6
[M+K]+ 792.35403 260.1
[M+H-H2O]+ 736.38813 246.7
[M+HCOO]- 798.38907 268.3
[M+CH3COO]- 812.40472 304.9
[M+Na-2H]- 774.36554 302.3
[M]+ 753.39032 293.9
[M]- 753.39142 293.9
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.