CID 40488782

853318-93-1

Structural Information

Molecular Formula
C18H10ClF6N3O2
SMILES
C1=CC2=C(C=C1Cl)N=CN(C2=O)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C18H10ClF6N3O2/c19-11-1-2-13-14(6-11)26-8-28(16(13)30)7-15(29)27-12-4-9(17(20,21)22)3-10(5-12)18(23,24)25/h1-6,8H,7H2,(H,27,29)
InChIKey
HSFZETCYHZCCHU-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-2-(7-chloro-4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.03656 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.04384 197.1
[M+Na]+ 472.02578 209.1
[M-H]- 448.02928 195.2
[M+NH4]+ 467.07038 205.3
[M+K]+ 487.99972 200.5
[M+H-H2O]+ 432.03382 183.2
[M+HCOO]- 494.03476 203.5
[M+CH3COO]- 508.05041 229.9
[M+Na-2H]- 470.01123 199.7
[M]+ 449.03601 193.8
[M]- 449.03711 193.8
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.