CID 294242

Urea, 1-(2-chloroethyl)-3-(5-hydroxy-1-naphthyl)-

Structural Information

Molecular Formula
C13H13ClN2O2
SMILES
C1=CC2=C(C=CC=C2O)C(=C1)NC(=O)NCCCl
InChI
InChI=1S/C13H13ClN2O2/c14-7-8-15-13(18)16-11-5-1-4-10-9(11)3-2-6-12(10)17/h1-6,17H,7-8H2,(H2,15,16,18)
InChIKey
HFCWQUAXJOWOLU-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(5-hydroxynaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.06656 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.07384 156.0
[M+Na]+ 287.05578 163.7
[M-H]- 263.05928 159.2
[M+NH4]+ 282.10038 173.6
[M+K]+ 303.02972 158.4
[M+H-H2O]+ 247.06382 150.4
[M+HCOO]- 309.06476 174.9
[M+CH3COO]- 323.08041 197.1
[M+Na-2H]- 285.04123 162.6
[M]+ 264.06601 157.3
[M]- 264.06711 157.3
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.