CID 267545

1-(2-hydroxyethyl)-3-(1-naphthyl)urea

Structural Information

Molecular Formula
C13H14N2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NCCO
InChI
InChI=1S/C13H14N2O2/c16-9-8-14-13(17)15-12-7-3-5-10-4-1-2-6-11(10)12/h1-7,16H,8-9H2,(H2,14,15,17)
InChIKey
ZOOPIJPMIZZGJT-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 148.9
[M+Na]+ 253.09475 154.9
[M-H]- 229.09825 151.9
[M+NH4]+ 248.13935 166.6
[M+K]+ 269.06869 151.3
[M+H-H2O]+ 213.10279 142.2
[M+HCOO]- 275.10373 172.3
[M+CH3COO]- 289.11938 192.2
[M+Na-2H]- 251.08020 156.8
[M]+ 230.10498 147.5
[M]- 230.10608 147.5
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.