CID 3052285

Urea, n-(2,6-dimethylphenyl)-n'-(imino((2,2,2-trifluoroethyl)amino)methyl)-, monohydrochloride

Structural Information

Molecular Formula
C12H15F3N4O
SMILES
CC1=C(C(=CC=C1)C)NC(=O)NC(=NCC(F)(F)F)N
InChI
InChI=1S/C12H15F3N4O/c1-7-4-3-5-8(2)9(7)18-11(20)19-10(16)17-6-12(13,14)15/h3-5H,6H2,1-2H3,(H4,16,17,18,19,20)
InChIKey
YYXVINOYKGGZSV-UHFFFAOYSA-N
Compound name
1-(2,6-dimethylphenyl)-3-[N'-(2,2,2-trifluoroethyl)carbamimidoyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

288.11978 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12706 161.3
[M+Na]+ 311.10900 166.0
[M+NH4]+ 306.15360 164.7
[M+K]+ 327.08294 162.8
[M-H]- 287.11250 159.0
[M+Na-2H]- 309.09445 163.7
[M]+ 288.11923 160.6
[M]- 288.12033 160.6
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