CID 71301093

Urea, 1-(2-chloroethyl)-3-(1-naphthyl-1-ethyl)-, d-

Structural Information

Molecular Formula
C15H17ClN2O
SMILES
C[C@H](C1=CC=CC2=CC=CC=C21)NC(=O)NCCCl
InChI
InChI=1S/C15H17ClN2O/c1-11(18-15(19)17-10-9-16)13-8-4-6-12-5-2-3-7-14(12)13/h2-8,11H,9-10H2,1H3,(H2,17,18,19)/t11-/m1/s1
InChIKey
RKFAWRIEXWONKF-LLVKDONJSA-N
Compound name
1-(2-chloroethyl)-3-[(1R)-1-naphthalen-1-ylethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

276.10294 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.110216 163.0
[M+Na]+ 299.092158 169.1
[M-H]- 275.095664 166.8
[M+NH4]+ 294.136763 180.4
[M+K]+ 315.066098 163.9
[M+H-H2O]+ 259.100200 156.7
[M+HCOO]- 321.101141 181.4
[M+CH3COO]- 335.116791 203.1
[M+Na-2H]- 297.077606 168.3
[M]+ 276.10239142 164.3
[M]- 276.10348858 164.3
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.