CID 3074693

N,n'-bis((3-fluorophenyl)phenylmethyl)urea

Structural Information

Molecular Formula
C27H22F2N2O
SMILES
C1=CC=C(C=C1)C(C2=CC(=CC=C2)F)NC(=O)NC(C3=CC=CC=C3)C4=CC(=CC=C4)F
InChI
InChI=1S/C27H22F2N2O/c28-23-15-7-13-21(17-23)25(19-9-3-1-4-10-19)30-27(32)31-26(20-11-5-2-6-12-20)22-14-8-16-24(29)18-22/h1-18,25-26H,(H2,30,31,32)
InChIKey
HOFKOZBBHXEODO-UHFFFAOYSA-N
Compound name
1,3-bis[(3-fluorophenyl)-phenylmethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.17 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.17728 203.3
[M+Na]+ 451.15922 206.1
[M-H]- 427.16272 211.9
[M+NH4]+ 446.20382 210.5
[M+K]+ 467.13316 198.9
[M+H-H2O]+ 411.16726 189.8
[M+HCOO]- 473.16820 222.6
[M+CH3COO]- 487.18385 210.2
[M+Na-2H]- 449.14467 204.0
[M]+ 428.16945 197.5
[M]- 428.17055 197.5
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

No patent data available for this compound.