CID 59259

Acridine, 2-chloro-9-(4-quinazolinylthio)-

Structural Information

Molecular Formula
C21H12ClN3S
SMILES
C1=CC=C2C(=C1)C(=C3C=C(C=CC3=N2)Cl)SC4=NC=NC5=CC=CC=C54
InChI
InChI=1S/C21H12ClN3S/c22-13-9-10-19-16(11-13)20(14-5-1-4-8-18(14)25-19)26-21-15-6-2-3-7-17(15)23-12-24-21/h1-12H
InChIKey
LLLWIYPZJYCYHG-UHFFFAOYSA-N
Compound name
2-chloro-9-quinazolin-4-ylsulfanylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.04404 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.05132 182.3
[M+Na]+ 396.03326 195.6
[M-H]- 372.03676 187.8
[M+NH4]+ 391.07786 194.8
[M+K]+ 412.00720 185.7
[M+H-H2O]+ 356.04130 171.9
[M+HCOO]- 418.04224 191.3
[M+CH3COO]- 432.05789 192.6
[M+Na-2H]- 394.01871 191.0
[M]+ 373.04349 188.4
[M]- 373.04459 188.4
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.