CID 294242

102433-50-1

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]+ 265.073836 156.0
[M+Na]+ 287.055778 163.7
[M-H]- 263.059284 159.2
[M+NH4]+ 282.100383 173.6
[M+K]+ 303.029718 158.4
[M+H-H2O]+ 247.063820 150.4
[M+HCOO]- 309.064761 174.9
[M+CH3COO]- 323.080411 197.1
[M+Na-2H]- 285.041226 162.6
[M]+ 264.06601142 157.3
[M]- 264.06710858 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.