CID 9575392

1-(4-cyanophenyl)-3-[3-(2,6-dichlorophenyl)propanimidoyl]urea

Structural Information

Molecular Formula
C17H14Cl2N4O
SMILES
C1=CC(=C(C(=C1)Cl)CC/C(=N/C(=O)NC2=CC=C(C=C2)C#N)/N)Cl
InChI
InChI=1S/C17H14Cl2N4O/c18-14-2-1-3-15(19)13(14)8-9-16(21)23-17(24)22-12-6-4-11(10-20)5-7-12/h1-7H,8-9H2,(H3,21,22,23,24)
InChIKey
LQFBGMQQRMIJSV-UHFFFAOYSA-N
Compound name
(1Z)-1-[1-amino-3-(2,6-dichlorophenyl)propylidene]-3-(4-cyanophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

360.05447 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.06175 192.1
[M+Na]+ 383.04369 201.7
[M-H]- 359.04719 197.2
[M+NH4]+ 378.08829 204.1
[M+K]+ 399.01763 193.7
[M+H-H2O]+ 343.05173 178.9
[M+HCOO]- 405.05267 205.0
[M+CH3COO]- 419.06832 228.5
[M+Na-2H]- 381.02914 191.9
[M]+ 360.05392 188.8
[M]- 360.05502 188.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.