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 189.8
[M+Na]+ 406.09844 201.2
[M-H]- 382.10194 195.2
[M+NH4]+ 401.14304 200.8
[M+K]+ 422.07238 192.4
[M+H-H2O]+ 366.10648 178.4
[M+HCOO]- 428.10742 202.8
[M+CH3COO]- 442.12307 199.3
[M+Na-2H]- 404.08389 198.0
[M]+ 383.10867 195.5
[M]- 383.10977 195.5
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.