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 191.1
[M+Na]+ 404.14032 199.1
[M-H]- 380.14382 197.3
[M+NH4]+ 399.18492 202.2
[M+K]+ 420.11426 193.4
[M+H-H2O]+ 364.14836 181.0
[M+HCOO]- 426.14930 206.3
[M+CH3COO]- 440.16495 225.0
[M+Na-2H]- 402.12577 192.3
[M]+ 381.15055 197.3
[M]- 381.15165 197.3
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.