CID 59258

Brn 5631048

Structural Information

Molecular Formula
C23H17N3OS
SMILES
CCOC1=CC2=C(C3=CC=CC=C3N=C2C=C1)SC4=NC=NC5=CC=CC=C54
InChI
InChI=1S/C23H17N3OS/c1-2-27-15-11-12-21-18(13-15)22(16-7-3-6-10-20(16)26-21)28-23-17-8-4-5-9-19(17)24-14-25-23/h3-14H,2H2,1H3
InChIKey
AWEGYSYWXWFMRV-UHFFFAOYSA-N
Compound name
2-ethoxy-9-quinazolin-4-ylsulfanylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.10922 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.11650 189.3
[M+Na]+ 406.09844 210.1
[M+NH4]+ 401.14304 199.5
[M+K]+ 422.07238 196.2
[M-H]- 382.10194 196.3
[M+Na-2H]- 404.08389 200.3
[M]+ 383.10867 195.4
[M]- 383.10977 195.4
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.