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]+ 357.10005 181.2
[M+Na]+ 379.08199 189.5
[M-H]- 355.08549 189.1
[M+NH4]+ 374.12659 195.6
[M+K]+ 395.05593 184.3
[M+H-H2O]+ 339.09003 173.2
[M+HCOO]- 401.09097 200.9
[M+CH3COO]- 415.10662 218.0
[M+Na-2H]- 377.06744 186.2
[M]+ 356.09222 186.2
[M]- 356.09332 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.