CID 90486698

882865-89-6

Structural Information

Molecular Formula
C19H17ClN2O3
SMILES
COC1=CC(=C(C=C1NC(=O)NC2=CC3=CC=CC=C3C=C2)Cl)OC
InChI
InChI=1S/C19H17ClN2O3/c1-24-17-11-18(25-2)16(10-15(17)20)22-19(23)21-14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H2,21,22,23)
InChIKey
UPUUOEJSOPISQQ-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,4-dimethoxyphenyl)-3-naphthalen-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.09277 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.100046 181.2
[M+Na]+ 379.081988 189.5
[M-H]- 355.085494 189.1
[M+NH4]+ 374.126593 195.6
[M+K]+ 395.055928 184.3
[M+H-H2O]+ 339.090030 173.2
[M+HCOO]- 401.090971 200.9
[M+CH3COO]- 415.106621 218.0
[M+Na-2H]- 377.067436 186.2
[M]+ 356.09222142 186.2
[M]- 356.09331858 186.2
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.