CID 4184975

1-(4-chloro-phenyl)-3-(4-(3-(4-chloro-phenyl)-ureido)-phenyl)-urea

Structural Information

Molecular Formula
C20H16Cl2N4O2
SMILES
C1=CC(=CC=C1NC(=O)NC2=CC=C(C=C2)Cl)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H16Cl2N4O2/c21-13-1-5-15(6-2-13)23-19(27)25-17-9-11-18(12-10-17)26-20(28)24-16-7-3-14(22)4-8-16/h1-12H,(H2,23,25,27)(H2,24,26,28)
InChIKey
DJSDFROQFMULFQ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

414.06503 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.07231 195.5
[M+Na]+ 437.05425 201.4
[M-H]- 413.05775 204.3
[M+NH4]+ 432.09885 205.7
[M+K]+ 453.02819 194.4
[M+H-H2O]+ 397.06229 187.1
[M+HCOO]- 459.06323 212.5
[M+CH3COO]- 473.07888 229.1
[M+Na-2H]- 435.03970 198.9
[M]+ 414.06448 197.0
[M]- 414.06558 197.0
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

patents stripe