CID 3584844

303092-02-6

Structural Information

Molecular Formula
C17H13ClN2O2
SMILES
C1=CC2=C(C=CC=C2O)C(=C1)NC(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H13ClN2O2/c18-11-7-9-12(10-8-11)19-17(22)20-15-5-1-4-14-13(15)3-2-6-16(14)21/h1-10,21H,(H2,19,20,22)
InChIKey
XMRIOARMTWIIQI-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(5-hydroxynaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.06656 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07384 168.5
[M+Na]+ 335.05578 176.6
[M-H]- 311.05928 174.9
[M+NH4]+ 330.10038 183.8
[M+K]+ 351.02972 170.1
[M+H-H2O]+ 295.06382 161.4
[M+HCOO]- 357.06476 187.3
[M+CH3COO]- 371.08041 179.7
[M+Na-2H]- 333.04123 174.8
[M]+ 312.06601 169.3
[M]- 312.06711 169.3
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.