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]+ 500.900776 210.2
[M+Na]+ 522.882718 216.4
[M-H]- 498.886224 209.3
[M+NH4]+ 517.927323 217.0
[M+K]+ 538.856658 211.3
[M+H-H2O]+ 482.890760 206.8
[M+HCOO]- 544.891701 205.3
[M+CH3COO]- 558.907351 240.2
[M+Na-2H]- 520.868166 204.6
[M]+ 499.89295142 208.9
[M]- 499.89404858 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.