CID 6455774

68155-46-4

Structural Information

Molecular Formula
C43H45N11O11
SMILES
CC(=O)C(C(=O)NC1=CC=CC=C1OC)N=NC2=CC=C(C=C2)N(CNC=O)C(=O)C3=C(C(=C(C(=C3)CNC=O)N=NC(C(=O)C)C(=O)NC4=CC=CC=C4OC)CNC=O)CNC=O
InChI
InChI=1S/C43H45N11O11/c1-26(59)38(41(61)48-34-9-5-7-11-36(34)64-3)51-50-29-13-15-30(16-14-29)54(21-47-25-58)43(63)31-17-28(18-44-22-55)40(33(20-46-24-57)32(31)19-45-23-56)53-52-39(27(2)60)42(62)49-35-10-6-8-12-37(35)65-4/h5-17,22-25,38-39H,18-21H2,1-4H3,(H,44,55)(H,45,56)(H,46,57)(H,47,58)(H,48,61)(H,49,62)
InChIKey
ZXBGYAPYJMCSED-UHFFFAOYSA-N
Compound name
N,2,3,5-tetrakis(formamidomethyl)-4-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]-N-[4-[[1-(2-methoxyanilino)-1,3-dioxobutan-2-yl]diazenyl]phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

891.33 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 892.33728 295.8
[M+Na]+ 914.31922 302.1
[M+NH4]+ 909.36382 303.0
[M+K]+ 930.29316 293.1
[M-H]- 890.32272 297.8
[M+Na-2H]- 912.30467 321.0
[M]+ 891.32945 302.0
[M]- 891.33055 302.0
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.