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]+ 331.03993 172.4
[M+Na]+ 353.02187 181.6
[M-H]- 329.02537 179.3
[M+NH4]+ 348.06647 188.2
[M+K]+ 368.99581 174.0
[M+H-H2O]+ 313.02991 165.9
[M+HCOO]- 375.03085 187.4
[M+CH3COO]- 389.04650 183.6
[M+Na-2H]- 351.00732 178.2
[M]+ 330.03210 175.1
[M]- 330.03320 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.