CID 3038298

25524-59-8

Structural Information

Molecular Formula
C16H10Cl6N4O2
SMILES
C1=C(C(=CC(=C1Cl)Cl)Cl)NC(=O)N/C=C/NC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl
InChI
InChI=1S/C16H10Cl6N4O2/c17-7-3-11(21)13(5-9(7)19)25-15(27)23-1-2-24-16(28)26-14-6-10(20)8(18)4-12(14)22/h1-6H,(H2,23,25,27)(H2,24,26,28)/b2-1+
InChIKey
NBVNVGOBQLGRKY-OWOJBTEDSA-N
Compound name
1-(2,4,5-trichlorophenyl)-3-[(E)-2-[(2,4,5-trichlorophenyl)carbamoylamino]ethenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

499.8935 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 500.90078 210.2
[M+Na]+ 522.88272 216.4
[M-H]- 498.88622 209.3
[M+NH4]+ 517.92732 217.0
[M+K]+ 538.85666 211.3
[M+H-H2O]+ 482.89076 206.8
[M+HCOO]- 544.89170 205.3
[M+CH3COO]- 558.90735 240.2
[M+Na-2H]- 520.86817 204.6
[M]+ 499.89295 208.9
[M]- 499.89405 208.9
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.