CID 3074692

2-hydroxyl-5-chlorobenzhydrylurea

Structural Information

Molecular Formula
C14H13ClN2O2
SMILES
C1=CC=C(C=C1)C(C2=C(C=CC(=C2)Cl)O)NC(=O)N
InChI
InChI=1S/C14H13ClN2O2/c15-10-6-7-12(18)11(8-10)13(17-14(16)19)9-4-2-1-3-5-9/h1-8,13,18H,(H3,16,17,19)
InChIKey
MTTIYQGDEQOJOG-UHFFFAOYSA-N
Compound name
[(5-chloro-2-hydroxyphenyl)-phenylmethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.06656 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.07384 160.9
[M+Na]+ 299.05578 167.8
[M-H]- 275.05928 166.0
[M+NH4]+ 294.10038 176.2
[M+K]+ 315.02972 162.4
[M+H-H2O]+ 259.06382 154.4
[M+HCOO]- 321.06476 179.4
[M+CH3COO]- 335.08041 199.4
[M+Na-2H]- 297.04123 163.9
[M]+ 276.06601 159.8
[M]- 276.06711 159.8
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.