CID 27404

Ammonium, (2-((3,4-dihydro-7-chloro-4-oxo-3-phenyl-2-quinazolinyl)thio)propyl)trimethyl-, iodide

Structural Information

Molecular Formula
C20H23ClN3OS
SMILES
CC(C[N+](C)(C)C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C20H23ClN3OS/c1-14(13-24(2,3)4)26-20-22-18-12-15(21)10-11-17(18)19(25)23(20)16-8-6-5-7-9-16/h5-12,14H,13H2,1-4H3/q+1
InChIKey
XDTNXUNPRDIXBX-UHFFFAOYSA-N
Compound name
2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylpropyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.12503 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.13231 188.6
[M+Na]+ 411.11425 197.5
[M-H]- 387.11775 195.0
[M+NH4]+ 406.15885 200.5
[M+K]+ 427.08819 185.2
[M+H-H2O]+ 371.12229 182.4
[M+HCOO]- 433.12323 198.0
[M+CH3COO]- 447.13888 217.6
[M+Na-2H]- 409.09970 194.1
[M]+ 388.12448 194.0
[M]- 388.12558 194.0
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.