CID 63487

65872-81-3

Structural Information

Molecular Formula
C20H20FN3O2
SMILES
CCCC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3C)CF
InChI
InChI=1S/C20H20FN3O2/c1-3-6-19(25)22-14-9-10-16-15(11-14)20(26)24(18(12-21)23-16)17-8-5-4-7-13(17)2/h4-5,7-11H,3,6,12H2,1-2H3,(H,22,25)
InChIKey
DBIBUWKNNLBCMR-UHFFFAOYSA-N
Compound name
N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.15396 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.16124 185.0
[M+Na]+ 376.14318 199.4
[M+NH4]+ 371.18778 191.0
[M+K]+ 392.11712 191.3
[M-H]- 352.14668 187.6
[M+Na-2H]- 374.12863 191.7
[M]+ 353.15341 187.7
[M]- 353.15451 187.7
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.