CID 27432

Ammonium, (2-((3,4-dihydro-4-oxo-3-phenyl-2-quinazolinyl)thio)propyl)trimethyl-, iodide

Structural Information

Molecular Formula
C20H24N3OS
SMILES
CC(C[N+](C)(C)C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C20H24N3OS/c1-15(14-23(2,3)4)25-20-21-18-13-9-8-12-17(18)19(24)22(20)16-10-6-5-7-11-16/h5-13,15H,14H2,1-4H3/q+1
InChIKey
PGMHSUDQPQOQLK-UHFFFAOYSA-N
Compound name
trimethyl-[2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.164 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17128 182.8
[M+Na]+ 377.15322 190.4
[M-H]- 353.15672 189.1
[M+NH4]+ 372.19782 195.0
[M+K]+ 393.12716 179.2
[M+H-H2O]+ 337.16126 175.8
[M+HCOO]- 399.16220 196.9
[M+CH3COO]- 413.17785 212.9
[M+Na-2H]- 375.13867 189.4
[M]+ 354.16345 185.7
[M]- 354.16455 185.7
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.