CID 377624

1-(2,2-diethoxyethyl)-1-methyl-3-(1-naphthyl)urea

Structural Information

Molecular Formula
C18H24N2O3
SMILES
CCOC(CN(C)C(=O)NC1=CC=CC2=CC=CC=C21)OCC
InChI
InChI=1S/C18H24N2O3/c1-4-22-17(23-5-2)13-20(3)18(21)19-16-12-8-10-14-9-6-7-11-15(14)16/h6-12,17H,4-5,13H2,1-3H3,(H,19,21)
InChIKey
MURPMTLDBRULFZ-UHFFFAOYSA-N
Compound name
1-(2,2-diethoxyethyl)-1-methyl-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.18596 176.5
[M+Na]+ 339.16790 180.2
[M-H]- 315.17140 181.3
[M+NH4]+ 334.21250 191.7
[M+K]+ 355.14184 179.0
[M+H-H2O]+ 299.17594 168.0
[M+HCOO]- 361.17688 199.2
[M+CH3COO]- 375.19253 215.9
[M+Na-2H]- 337.15335 180.0
[M]+ 316.17813 180.6
[M]- 316.17923 180.6
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.