CID 4429487

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

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CCNC(=O)NC1=CC(=C(C=C1)C)NC(=O)NCC
InChI
InChI=1S/C13H20N4O2/c1-4-14-12(18)16-10-7-6-9(3)11(8-10)17-13(19)15-5-2/h6-8H,4-5H2,1-3H3,(H2,14,16,18)(H2,15,17,19)
InChIKey
KXIZTLVQHOBRKM-UHFFFAOYSA-N
Compound name
1-ethyl-3-[3-(ethylcarbamoylamino)-4-methylphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.15863 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 162.9
[M+Na]+ 287.14785 167.2
[M-H]- 263.15135 166.5
[M+NH4]+ 282.19245 178.5
[M+K]+ 303.12179 165.4
[M+H-H2O]+ 247.15589 155.0
[M+HCOO]- 309.15683 189.0
[M+CH3COO]- 323.17248 207.7
[M+Na-2H]- 285.13330 166.2
[M]+ 264.15808 161.8
[M]- 264.15918 161.8
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.