CID 6454893

64441-14-1

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 263.5
[M+Na]+ 725.28066 268.6
[M+NH4]+ 720.32526 268.9
[M+K]+ 741.25460 262.2
[M-H]- 701.28416 263.1
[M+Na-2H]- 723.26611 286.4
[M]+ 702.29089 267.4
[M]- 702.29199 267.4
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.