CID 3052214

Urea, n-(imino(methylamino)methyl)-n'-(4-(trifluoromethyl)phenyl)-, monohydrochloride

Structural Information

Molecular Formula
C10H11F3N4O
SMILES
CN=C(N)NC(=O)NC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C10H11F3N4O/c1-15-8(14)17-9(18)16-7-4-2-6(3-5-7)10(11,12)13/h2-5H,1H3,(H4,14,15,16,17,18)
InChIKey
OIMWKTMZTPGNRV-UHFFFAOYSA-N
Compound name
1-(N'-methylcarbamimidoyl)-3-[4-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0885 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09578 152.2
[M+Na]+ 283.07772 156.9
[M+NH4]+ 278.12232 155.9
[M+K]+ 299.05166 154.0
[M-H]- 259.08122 149.9
[M+Na-2H]- 281.06317 155.3
[M]+ 260.08795 151.4
[M]- 260.08905 151.4
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.