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 153.6
[M+Na]+ 283.07772 159.4
[M-H]- 259.08122 154.3
[M+NH4]+ 278.12232 169.5
[M+K]+ 299.05166 157.3
[M+H-H2O]+ 243.08576 143.8
[M+HCOO]- 305.08670 176.6
[M+CH3COO]- 319.10235 204.8
[M+Na-2H]- 281.06317 157.6
[M]+ 260.08795 146.3
[M]- 260.08905 146.3
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.