CID 1272963

83591-68-8

Structural Information

Molecular Formula
C21H23N3O2S
SMILES
CCN(CC)C(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)C
InChI
InChI=1S/C21H23N3O2S/c1-4-23(5-2)19(25)14-27-21-22-18-9-7-6-8-17(18)20(26)24(21)16-12-10-15(3)11-13-16/h6-13H,4-5,14H2,1-3H3
InChIKey
JZTQIZKVTJXPMY-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-[3-(4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.1511 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.15838 189.9
[M+Na]+ 404.14032 204.5
[M+NH4]+ 399.18492 197.2
[M+K]+ 420.11426 194.5
[M-H]- 380.14382 194.6
[M+Na-2H]- 402.12577 197.5
[M]+ 381.15055 193.9
[M]- 381.15165 193.9
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.