CID 3060927

C 3234

Structural Information

Molecular Formula
C17H29N3O
SMILES
CCN(CC)CCN(C)C(=O)NC1=C(C=C(C=C1C)C)C
InChI
InChI=1S/C17H29N3O/c1-7-20(8-2)10-9-19(6)17(21)18-16-14(4)11-13(3)12-15(16)5/h11-12H,7-10H2,1-6H3,(H,18,21)
InChIKey
SAOQBEUPZXHDRE-UHFFFAOYSA-N
Compound name
1-[2-(diethylamino)ethyl]-1-methyl-3-(2,4,6-trimethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.23105 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.23833 175.7
[M+Na]+ 314.22027 180.3
[M-H]- 290.22377 181.8
[M+NH4]+ 309.26487 192.3
[M+K]+ 330.19421 179.8
[M+H-H2O]+ 274.22831 167.6
[M+HCOO]- 336.22925 200.9
[M+CH3COO]- 350.24490 221.4
[M+Na-2H]- 312.20572 175.4
[M]+ 291.23050 179.8
[M]- 291.23160 179.8
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.