CID 90486689

1,2-bis(3,4-dichlorophenylureido)ethane

Structural Information

Molecular Formula
C16H14Cl4N4O2
SMILES
C1=CC(=C(C=C1NC(=O)NCCNC(=O)NC2=CC(=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C16H14Cl4N4O2/c17-11-3-1-9(7-13(11)19)23-15(25)21-5-6-22-16(26)24-10-2-4-12(18)14(20)8-10/h1-4,7-8H,5-6H2,(H2,21,23,25)(H2,22,24,26)
InChIKey
FKHKWWLUCOIWSR-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-[2-[(3,4-dichlorophenyl)carbamoylamino]ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.9871 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.99438 196.7
[M+Na]+ 456.97632 203.4
[M-H]- 432.97982 200.0
[M+NH4]+ 452.02092 207.0
[M+K]+ 472.95026 196.9
[M+H-H2O]+ 416.98436 191.8
[M+HCOO]- 478.98530 202.8
[M+CH3COO]- 493.00095 231.0
[M+Na-2H]- 454.96177 196.1
[M]+ 433.98655 199.2
[M]- 433.98765 199.2
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.