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 185.1
[M+Na]+ 376.14318 194.3
[M-H]- 352.14668 189.1
[M+NH4]+ 371.18778 196.4
[M+K]+ 392.11712 187.9
[M+H-H2O]+ 336.15122 173.9
[M+HCOO]- 398.15216 204.0
[M+CH3COO]- 412.16781 219.3
[M+Na-2H]- 374.12863 188.2
[M]+ 353.15341 186.9
[M]- 353.15451 186.9
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.