CID 834254

1-(3,4-dichloro-phenyl)-3-naphthalen-2-yl-urea

Structural Information

Molecular Formula
C17H12Cl2N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)NC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2O/c18-15-8-7-14(10-16(15)19)21-17(22)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H,(H2,20,21,22)
InChIKey
AWKBTABCMXZMQE-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-naphthalen-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.03265 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.039926 172.4
[M+Na]+ 353.021868 181.6
[M-H]- 329.025374 179.3
[M+NH4]+ 348.066473 188.2
[M+K]+ 368.995808 174.0
[M+H-H2O]+ 313.029910 165.9
[M+HCOO]- 375.030851 187.4
[M+CH3COO]- 389.046501 183.6
[M+Na-2H]- 351.007316 178.2
[M]+ 330.03210142 175.1
[M]- 330.03319858 175.1
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.