CID 303001

1,1-dimethyl-3-(1-naphthyl)urea

Structural Information

Molecular Formula
C13H14N2O
SMILES
CN(C)C(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H14N2O/c1-15(2)13(16)14-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H,14,16)
InChIKey
OUFIYSOVKBPIAU-UHFFFAOYSA-N
Compound name
1,1-dimethyl-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

214.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.11789 146.6
[M+Na]+ 237.09983 153.2
[M-H]- 213.10333 152.5
[M+NH4]+ 232.14443 166.4
[M+K]+ 253.07377 151.3
[M+H-H2O]+ 197.10787 139.6
[M+HCOO]- 259.10881 171.7
[M+CH3COO]- 273.12446 195.9
[M+Na-2H]- 235.08528 154.0
[M]+ 214.11006 146.8
[M]- 214.11116 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe