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]+ 230.128776 149.9
[M+Na]+ 252.110718 155.6
[M-H]- 228.114224 155.7
[M+NH4]+ 247.155323 168.6
[M+K]+ 268.084658 153.8
[M+H-H2O]+ 212.118760 142.4
[M+HCOO]- 274.119701 176.0
[M+CH3COO]- 288.135351 201.0
[M+Na-2H]- 250.096166 157.7
[M]+ 229.12095142 149.4
[M]- 229.12204858 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