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]+ 277.11022 163.0
[M+Na]+ 299.09216 169.1
[M-H]- 275.09566 166.8
[M+NH4]+ 294.13676 180.4
[M+K]+ 315.06610 163.9
[M+H-H2O]+ 259.10020 156.7
[M+HCOO]- 321.10114 181.4
[M+CH3COO]- 335.11679 203.1
[M+Na-2H]- 297.07761 168.3
[M]+ 276.10239 164.3
[M]- 276.10349 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.