CID 4368424

3,3'-(4-methyl-1,3-phenylene)bis(1,1-diethylurea)

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 182.5
[M+Na]+ 343.21044 185.3
[M-H]- 319.21394 188.3
[M+NH4]+ 338.25504 197.1
[M+K]+ 359.18438 185.5
[M+H-H2O]+ 303.21848 173.6
[M+HCOO]- 365.21942 208.2
[M+CH3COO]- 379.23507 226.2
[M+Na-2H]- 341.19589 182.1
[M]+ 320.22067 185.3
[M]- 320.22177 185.3
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