CID 27408

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

Structural Information

Molecular Formula
C19H21ClN3OS
SMILES
C[N+](C)(C)CCSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3
InChI
InChI=1S/C19H21ClN3OS/c1-23(2,3)11-12-25-19-21-17-13-14(20)9-10-16(17)18(24)22(19)15-7-5-4-6-8-15/h4-10,13H,11-12H2,1-3H3/q+1
InChIKey
KPVZGOAGJAIJEY-UHFFFAOYSA-N
Compound name
2-(7-chloro-4-oxo-3-phenylquinazolin-2-yl)sulfanylethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.10938 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11666 185.4
[M+Na]+ 397.09860 195.1
[M-H]- 373.10210 191.9
[M+NH4]+ 392.14320 198.0
[M+K]+ 413.07254 182.5
[M+H-H2O]+ 357.10664 179.1
[M+HCOO]- 419.10758 196.1
[M+CH3COO]- 433.12323 213.9
[M+Na-2H]- 395.08405 192.2
[M]+ 374.10883 191.0
[M]- 374.10993 191.0
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.