CID 24404170

853318-91-9

Structural Information

Molecular Formula
C18H11F6N3O2
SMILES
C1=CC=C2C(=C1)C(=O)N(C=N2)CC(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C18H11F6N3O2/c19-17(20,21)10-5-11(18(22,23)24)7-12(6-10)26-15(28)8-27-9-25-14-4-2-1-3-13(14)16(27)29/h1-7,9H,8H2,(H,26,28)
InChIKey
KFRUCAOZXMQOBY-UHFFFAOYSA-N
Compound name
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.07553 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.08281 193.0
[M+Na]+ 438.06475 203.4
[M-H]- 414.06825 190.9
[M+NH4]+ 433.10935 201.3
[M+K]+ 454.03869 196.1
[M+H-H2O]+ 398.07279 178.4
[M+HCOO]- 460.07373 203.8
[M+CH3COO]- 474.08938 225.2
[M+Na-2H]- 436.05020 196.5
[M]+ 415.07498 186.7
[M]- 415.07608 186.7
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.