CID 418806

Urea, 1-(2-(dimethylamino)ethyl)-3-(1-naphthyl)-, hydrochloride

Structural Information

Molecular Formula
C15H19N3O
SMILES
CN(C)CCNC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H19N3O/c1-18(2)11-10-16-15(19)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3,(H2,16,17,19)
InChIKey
XZVKXBGCPHTNAA-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1528 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.160076 159.1
[M+Na]+ 280.142018 163.9
[M-H]- 256.145524 164.5
[M+NH4]+ 275.186623 176.7
[M+K]+ 296.115958 161.7
[M+H-H2O]+ 240.150060 151.2
[M+HCOO]- 302.151001 184.6
[M+CH3COO]- 316.166651 207.0
[M+Na-2H]- 278.127466 165.9
[M]+ 257.15225142 159.3
[M]- 257.15334858 159.3
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.