CID 59260

102244-09-7

Structural Information

Molecular Formula
C22H15N3OS
SMILES
COC1=CC=CC2=C(C3=CC=CC=C3N=C21)SC4=NC=NC5=CC=CC=C54
InChI
InChI=1S/C22H15N3OS/c1-26-19-12-6-9-16-20(19)25-18-11-5-2-7-14(18)21(16)27-22-15-8-3-4-10-17(15)23-13-24-22/h2-13H,1H3
InChIKey
GZJPZOPERAXWSR-UHFFFAOYSA-N
Compound name
4-methoxy-9-quinazolin-4-ylsulfanylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0936 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.10088 185.6
[M+Na]+ 392.08282 197.4
[M-H]- 368.08632 191.1
[M+NH4]+ 387.12742 197.1
[M+K]+ 408.05676 188.8
[M+H-H2O]+ 352.09086 174.4
[M+HCOO]- 414.09180 198.8
[M+CH3COO]- 428.10745 195.5
[M+Na-2H]- 390.06827 194.2
[M]+ 369.09305 191.0
[M]- 369.09415 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.