CID 226635

1,1-dimethyl-4-(1-naphthyl)semicarbazide

Structural Information

Molecular Formula
C13H15N3O
SMILES
CN(C)NC(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C13H15N3O/c1-16(2)15-13(17)14-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,1-2H3,(H2,14,15,17)
InChIKey
VQEKFAGQRFPUGP-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

229.1215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.12878 151.6
[M+Na]+ 252.11072 162.7
[M+NH4]+ 247.15532 160.2
[M+K]+ 268.08466 156.2
[M-H]- 228.11422 156.2
[M+Na-2H]- 250.09617 159.0
[M]+ 229.12095 154.3
[M]- 229.12205 154.3
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

patents stripe