CID 478249

N'-[3,5-bis(trifluoromethyl)phenyl]-n-[3-(4,5-dihydro-1h-imidazol-2-yl)phenyl]propanediamide

Structural Information

Molecular Formula
C20H16F6N4O2
SMILES
C1CN=C(N1)C2=CC(=CC=C2)NC(=O)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C20H16F6N4O2/c21-19(22,23)12-7-13(20(24,25)26)9-15(8-12)30-17(32)10-16(31)29-14-3-1-2-11(6-14)18-27-4-5-28-18/h1-3,6-9H,4-5,10H2,(H,27,28)(H,29,31)(H,30,32)
InChIKey
UBKWTVACBGPDDY-UHFFFAOYSA-N
Compound name
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.11774 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.12502 199.2
[M+Na]+ 481.10696 204.9
[M-H]- 457.11046 197.6
[M+NH4]+ 476.15156 205.0
[M+K]+ 497.08090 197.9
[M+H-H2O]+ 441.11500 184.8
[M+HCOO]- 503.11594 209.3
[M+CH3COO]- 517.13159 231.1
[M+Na-2H]- 479.09241 198.4
[M]+ 458.11719 188.5
[M]- 458.11829 188.5
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.