CID 4368424

20718-10-9

Structural Information

Molecular Formula
C17H28N4O2
SMILES
CCN(CC)C(=O)NC1=CC(=C(C=C1)C)NC(=O)N(CC)CC
InChI
InChI=1S/C17H28N4O2/c1-6-20(7-2)16(22)18-14-11-10-13(5)15(12-14)19-17(23)21(8-3)9-4/h10-12H,6-9H2,1-5H3,(H,18,22)(H,19,23)
InChIKey
NHQLXARPLGATNF-UHFFFAOYSA-N
Compound name
3-[3-(diethylcarbamoylamino)-4-methylphenyl]-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

320.22122 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.22850 181.6
[M+Na]+ 343.21044 188.3
[M+NH4]+ 338.25504 186.8
[M+K]+ 359.18438 183.8
[M-H]- 319.21394 184.3
[M+Na-2H]- 341.19589 184.9
[M]+ 320.22067 182.7
[M]- 320.22177 182.7
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