CID 63734

15589-07-8

Structural Information

Molecular Formula
C20H22ClN3OS
SMILES
CCN(CC)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C20H22ClN3OS/c1-3-23(4-2)12-13-26-20-22-18-14-15(21)10-11-17(18)19(25)24(20)16-8-6-5-7-9-16/h5-11,14H,3-4,12-13H2,1-2H3
InChIKey
PPFVRNLSVQIAAK-UHFFFAOYSA-N
Compound name
7-chloro-2-[2-(diethylamino)ethylsulfanyl]-3-phenylquinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.11722 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.12450 190.4
[M+Na]+ 410.10644 206.9
[M+NH4]+ 405.15104 199.1
[M+K]+ 426.08038 194.8
[M-H]- 386.10994 196.1
[M+Na-2H]- 408.09189 199.0
[M]+ 387.11667 195.4
[M]- 387.11777 195.4
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.