CID 6454893

Dtxsid60886685

Structural Information

Molecular Formula
C38H38N8O6
SMILES
CC1=C(C=C(C=C1)C(=O)N)N=NC(C(=O)C)C(=O)NC2=C(C=C(C=C2)C3=CC(=C(C=C3)NC(=O)C(C(=O)C)N=NC4=C(C=CC(=C4)C(=O)N)C)C)C
InChI
InChI=1S/C38H38N8O6/c1-19-7-9-27(35(39)49)17-31(19)43-45-33(23(5)47)37(51)41-29-13-11-25(15-21(29)3)26-12-14-30(22(4)16-26)42-38(52)34(24(6)48)46-44-32-18-28(36(40)50)10-8-20(32)2/h7-18,33-34H,1-6H3,(H2,39,49)(H2,40,50)(H,41,51)(H,42,52)
InChIKey
AKVMHGPVTXOMBI-UHFFFAOYSA-N
Compound name
3-[[1-[4-[4-[[2-[(5-carbamoyl-2-methylphenyl)diazenyl]-3-oxobutanoyl]amino]-3-methylphenyl]-2-methylanilino]-1,3-dioxobutan-2-yl]diazenyl]-4-methylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

702.29144 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 703.29872 274.2
[M+Na]+ 725.28066 280.4
[M-H]- 701.28416 279.7
[M+NH4]+ 720.32526 279.8
[M+K]+ 741.25460 271.6
[M+H-H2O]+ 685.28870 253.8
[M+HCOO]- 747.28964 280.3
[M+CH3COO]- 761.30529 314.0
[M+Na-2H]- 723.26611 312.4
[M]+ 702.29089 323.4
[M]- 702.29199 323.4
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.