CID 94372

Urea, 1,1'-(methyl-m-phenylene)bis(3,3-dimethyl-

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

264.15863 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.16591 164.1
[M+Na]+ 287.14785 168.7
[M-H]- 263.15135 170.7
[M+NH4]+ 282.19245 181.0
[M+K]+ 303.12179 169.8
[M+H-H2O]+ 247.15589 156.0
[M+HCOO]- 309.15683 191.2
[M+CH3COO]- 323.17248 214.3
[M+Na-2H]- 285.13330 165.8
[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