CID 87146

17526-94-2

Structural Information

Molecular Formula
C13H20N4O2
SMILES
CC1=C(C=C(C=C1)NC(=O)N(C)C)NC(=O)N(C)C
InChI
InChI=1S/C13H20N4O2/c1-9-6-7-10(14-12(18)16(2)3)8-11(9)15-13(19)17(4)5/h6-8H,1-5H3,(H,14,18)(H,15,19)
InChIKey
KDQTUCKOAOGTLT-UHFFFAOYSA-N
Compound name
3-[3-(dimethylcarbamoylamino)-4-methylphenyl]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1489
Patents

264.15863 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 164.1
[M+Na]+ 287.14785 171.7
[M+NH4]+ 282.19245 170.0
[M+K]+ 303.12179 168.1
[M-H]- 263.15135 167.0
[M+Na-2H]- 285.13330 168.5
[M]+ 264.15808 165.5
[M]- 264.15918 165.5
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