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 149.9
[M+Na]+ 252.11072 155.6
[M-H]- 228.11422 155.7
[M+NH4]+ 247.15532 168.6
[M+K]+ 268.08466 153.8
[M+H-H2O]+ 212.11876 142.4
[M+HCOO]- 274.11970 176.0
[M+CH3COO]- 288.13535 201.0
[M+Na-2H]- 250.09617 157.7
[M]+ 229.12095 149.4
[M]- 229.12205 149.4
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