CID 4591986

303092-11-7

Structural Information

Molecular Formula
C17H12Cl2N2O2
SMILES
C1=CC2=C(C=CC=C2O)C(=C1)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2O2/c18-13-8-7-10(9-14(13)19)20-17(23)21-15-5-1-4-12-11(15)3-2-6-16(12)22/h1-9,22H,(H2,20,21,23)
InChIKey
JWJGTRYPQPUQOC-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-(5-hydroxynaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.0276 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.03488 174.9
[M+Na]+ 369.01682 184.4
[M-H]- 345.02032 180.9
[M+NH4]+ 364.06142 189.6
[M+K]+ 384.99076 176.9
[M+H-H2O]+ 329.02486 168.9
[M+HCOO]- 391.02580 188.7
[M+CH3COO]- 405.04145 185.7
[M+Na-2H]- 367.00227 179.7
[M]+ 346.02705 177.7
[M]- 346.02815 177.7
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.