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 189.5
[M+Na]+ 410.10644 198.7
[M-H]- 386.10994 195.5
[M+NH4]+ 405.15104 201.5
[M+K]+ 426.08038 191.4
[M+H-H2O]+ 370.11448 180.0
[M+HCOO]- 432.11542 201.0
[M+CH3COO]- 446.13107 199.3
[M+Na-2H]- 408.09189 191.6
[M]+ 387.11667 197.4
[M]- 387.11777 197.4
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.