CID 478225

1-[3,5-bis(trifluoromethyl)phenyl]-3-ureido-urea

Structural Information

Molecular Formula
C10H8F6N4O2
SMILES
C1=C(C=C(C=C1C(F)(F)F)NC(=O)NNC(=O)N)C(F)(F)F
InChI
InChI=1S/C10H8F6N4O2/c11-9(12,13)4-1-5(10(14,15)16)3-6(2-4)18-8(22)20-19-7(17)21/h1-3H,(H3,17,19,21)(H2,18,20,22)
InChIKey
OYUOZMWULSNNKF-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]-3-(carbamoylamino)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.05515 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.06243 163.4
[M+Na]+ 353.04437 170.2
[M-H]- 329.04787 159.3
[M+NH4]+ 348.08897 175.8
[M+K]+ 369.01831 167.3
[M+H-H2O]+ 313.05241 151.8
[M+HCOO]- 375.05335 180.2
[M+CH3COO]- 389.06900 214.2
[M+Na-2H]- 351.02982 165.7
[M]+ 330.05460 151.6
[M]- 330.05570 151.6
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

No patent data available for this compound.