CID 3071843

139109-16-3

Structural Information

Molecular Formula
C18H13F3N4O2
SMILES
C1=CC=C(C=C1)NC(=O)C2=NC=CN2C(=O)NC3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H13F3N4O2/c19-18(20,21)12-5-4-8-14(11-12)24-17(27)25-10-9-22-15(25)16(26)23-13-6-2-1-3-7-13/h1-11H,(H,23,26)(H,24,27)
InChIKey
NWVCUMFKBZTJCE-UHFFFAOYSA-N
Compound name
2-N-phenyl-1-N-[3-(trifluoromethyl)phenyl]imidazole-1,2-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.09906 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.10634 182.0
[M+Na]+ 397.08828 188.6
[M-H]- 373.09178 185.9
[M+NH4]+ 392.13288 191.8
[M+K]+ 413.06222 183.2
[M+H-H2O]+ 357.09632 169.4
[M+HCOO]- 419.09726 200.6
[M+CH3COO]- 433.11291 217.4
[M+Na-2H]- 395.07373 184.6
[M]+ 374.09851 177.4
[M]- 374.09961 177.4
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.