CID 14419428

71130-18-2

Structural Information

Molecular Formula
C32H26Cl2N6O4
SMILES
CC(=O)CC(=O)NC1=CC=C(C=C1)N=NC2=C(C=C(C=C2)C3=CC(=C(C=C3)N=NC4=CC=C(C=C4)NC(=O)CC(=O)C)Cl)Cl
InChI
InChI=1S/C32H26Cl2N6O4/c1-19(41)15-31(43)35-23-5-9-25(10-6-23)37-39-29-13-3-21(17-27(29)33)22-4-14-30(28(34)18-22)40-38-26-11-7-24(8-12-26)36-32(44)16-20(2)42/h3-14,17-18H,15-16H2,1-2H3,(H,35,43)(H,36,44)
InChIKey
WQYGXOIHDNQLFE-UHFFFAOYSA-N
Compound name
N-[4-[[2-chloro-4-[3-chloro-4-[[4-(3-oxobutanoylamino)phenyl]diazenyl]phenyl]phenyl]diazenyl]phenyl]-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

628.1393 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 629.14658 255.5
[M+Na]+ 651.12852 259.3
[M-H]- 627.13202 271.4
[M+NH4]+ 646.17312 258.2
[M+K]+ 667.10246 255.2
[M+H-H2O]+ 611.13656 242.6
[M+HCOO]- 673.13750 275.9
[M+CH3COO]- 687.15315 284.3
[M+Na-2H]- 649.11397 254.2
[M]+ 628.13875 264.4
[M]- 628.13985 264.4
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.