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]+ 313.073836 168.5
[M+Na]+ 335.055778 176.6
[M-H]- 311.059284 174.9
[M+NH4]+ 330.100383 183.8
[M+K]+ 351.029718 170.1
[M+H-H2O]+ 295.063820 161.4
[M+HCOO]- 357.064761 187.3
[M+CH3COO]- 371.080411 179.7
[M+Na-2H]- 333.041226 174.8
[M]+ 312.06601142 169.3
[M]- 312.06710858 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.