CID 4075182

Schembl6442706

Structural Information

Molecular Formula
C21H18Cl2N4O3
SMILES
COC1=C(C=C(C=C1)NC(=O)NC2=CC=C(C=C2)Cl)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H18Cl2N4O3/c1-30-19-11-10-17(26-20(28)24-15-6-2-13(22)3-7-15)12-18(19)27-21(29)25-16-8-4-14(23)5-9-16/h2-12H,1H3,(H2,24,26,28)(H2,25,27,29)
InChIKey
HTBUXERQMXJESL-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]-4-methoxyphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

444.0756 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.08288 202.8
[M+Na]+ 467.06482 208.9
[M-H]- 443.06832 211.9
[M+NH4]+ 462.10942 212.1
[M+K]+ 483.03876 202.8
[M+H-H2O]+ 427.07286 194.3
[M+HCOO]- 489.07380 219.7
[M+CH3COO]- 503.08945 235.4
[M+Na-2H]- 465.05027 205.2
[M]+ 444.07505 206.4
[M]- 444.07615 206.4
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