CID 981624

N-(2,4-difluorophenyl)-2-{[3-(2-methylpropyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide

Structural Information

Molecular Formula
C20H19F2N3O2S
SMILES
CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3)F)F
InChI
InChI=1S/C20H19F2N3O2S/c1-12(2)10-25-19(27)14-5-3-4-6-16(14)24-20(25)28-11-18(26)23-17-8-7-13(21)9-15(17)22/h3-9,12H,10-11H2,1-2H3,(H,23,26)
InChIKey
ZULLDQLIZVTLAU-UHFFFAOYSA-N
Compound name
N-(2,4-difluorophenyl)-2-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

403.1166 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.12388 192.2
[M+Na]+ 426.10582 201.0
[M-H]- 402.10932 194.6
[M+NH4]+ 421.15042 201.8
[M+K]+ 442.07976 193.8
[M+H-H2O]+ 386.11386 180.8
[M+HCOO]- 448.11480 204.0
[M+CH3COO]- 462.13045 226.3
[M+Na-2H]- 424.09127 191.7
[M]+ 403.11605 194.7
[M]- 403.11715 194.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.