CID 478251

Chembl416350

Structural Information

Molecular Formula
C20H16F6N4O2
SMILES
CC(C)C1=NC2=CC=CC=C2C(=O)N1NC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C20H16F6N4O2/c1-10(2)16-28-15-6-4-3-5-14(15)17(31)30(16)29-18(32)27-13-8-11(19(21,22)23)7-12(9-13)20(24,25)26/h3-10H,1-2H3,(H2,27,29,32)
InChIKey
YGOTXAYJDGTHLG-UHFFFAOYSA-N
Compound name
1-[3,5-bis(trifluoromethyl)phenyl]-3-(4-oxo-2-propan-2-ylquinazolin-3-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

458.11774 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.12502 205.1
[M+Na]+ 481.10696 214.4
[M-H]- 457.11046 203.2
[M+NH4]+ 476.15156 211.7
[M+K]+ 497.08090 207.7
[M+H-H2O]+ 441.11500 190.6
[M+HCOO]- 503.11594 215.3
[M+CH3COO]- 517.13159 237.7
[M+Na-2H]- 479.09241 206.7
[M]+ 458.11719 198.7
[M]- 458.11829 198.7
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.