CID 310453

N,n-dibenzyl-n'-[3-(trifluoromethyl)phenyl]urea

Structural Information

Molecular Formula
C22H19F3N2O
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C22H19F3N2O/c23-22(24,25)19-12-7-13-20(14-19)26-21(28)27(15-17-8-3-1-4-9-17)16-18-10-5-2-6-11-18/h1-14H,15-16H2,(H,26,28)
InChIKey
UMOOFVAHBMVVME-UHFFFAOYSA-N
Compound name
1,1-dibenzyl-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

384.14496 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15224 190.0
[M+Na]+ 407.13418 194.4
[M-H]- 383.13768 196.2
[M+NH4]+ 402.17878 200.6
[M+K]+ 423.10812 188.9
[M+H-H2O]+ 367.14222 177.1
[M+HCOO]- 429.14316 209.9
[M+CH3COO]- 443.15881 224.6
[M+Na-2H]- 405.11963 193.3
[M]+ 384.14441 185.5
[M]- 384.14551 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe