CID 3033558

Brn 0068460

Structural Information

Molecular Formula
C26H18Cl2N4O4
SMILES
C1=CC=NC(=C1)/C(=C(\C2=CC=CC=N2)/OC(=O)NC3=CC=C(C=C3)Cl)/OC(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H18Cl2N4O4/c27-17-7-11-19(12-8-17)31-25(33)35-23(21-5-1-3-15-29-21)24(22-6-2-4-16-30-22)36-26(34)32-20-13-9-18(28)10-14-20/h1-16H,(H,31,33)(H,32,34)/b24-23-
InChIKey
OMMWYFRCVUWFMG-VHXPQNKSSA-N
Compound name
[(Z)-2-[(4-chlorophenyl)carbamoyloxy]-1,2-dipyridin-2-ylethenyl] N-(4-chlorophenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

520.0705 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.07778 214.1
[M+Na]+ 543.05972 218.0
[M-H]- 519.06322 222.6
[M+NH4]+ 538.10432 216.5
[M+K]+ 559.03366 211.7
[M+H-H2O]+ 503.06776 202.0
[M+HCOO]- 565.06870 224.0
[M+CH3COO]- 579.08435 220.1
[M+Na-2H]- 541.04517 216.1
[M]+ 520.06995 217.5
[M]- 520.07105 217.5
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.