CID 135446913

Chembl181543

Structural Information

Molecular Formula
C15H14ClN3O2
SMILES
CC1=C(C=CC=C1Cl)NC(=O)N/N=C/C2=CC=CC=C2O
InChI
InChI=1S/C15H14ClN3O2/c1-10-12(16)6-4-7-13(10)18-15(21)19-17-9-11-5-2-3-8-14(11)20/h2-9,20H,1H3,(H2,18,19,21)/b17-9+
InChIKey
DYYURZCTQXUDHY-RQZCQDPDSA-N
Compound name
1-(3-chloro-2-methylphenyl)-3-[(E)-(2-hydroxyphenyl)methylideneamino]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.07745 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.08473 169.0
[M+Na]+ 326.06667 176.5
[M-H]- 302.07017 176.0
[M+NH4]+ 321.11127 184.2
[M+K]+ 342.04061 171.1
[M+H-H2O]+ 286.07471 161.6
[M+HCOO]- 348.07565 191.4
[M+CH3COO]- 362.09130 208.7
[M+Na-2H]- 324.05212 173.7
[M]+ 303.07690 170.4
[M]- 303.07800 170.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.