CID 3050133

Brn 0851512

Structural Information

Molecular Formula
C21H22FN3O2
SMILES
CCCCC(=O)NC1=CC2=C(C=C1)N=C(N(C2=O)C3=CC=CC=C3C)CF
InChI
InChI=1S/C21H22FN3O2/c1-3-4-9-20(26)23-15-10-11-17-16(12-15)21(27)25(19(13-22)24-17)18-8-6-5-7-14(18)2/h5-8,10-12H,3-4,9,13H2,1-2H3,(H,23,26)
InChIKey
JEILDVAYDPZFQN-UHFFFAOYSA-N
Compound name
N-[2-(fluoromethyl)-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]pentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.16962 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.17690 189.7
[M+Na]+ 390.15884 198.4
[M-H]- 366.16234 193.4
[M+NH4]+ 385.20344 200.3
[M+K]+ 406.13278 191.8
[M+H-H2O]+ 350.16688 178.2
[M+HCOO]- 412.16782 208.2
[M+CH3COO]- 426.18347 222.3
[M+Na-2H]- 388.14429 192.1
[M]+ 367.16907 191.7
[M]- 367.17017 191.7
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.