CID 3077582

134826-36-1

Structural Information

Molecular Formula
C22H17NOS
SMILES
CC1=CC2=C(C3=CC=CC=C3N=C2C=C1)SCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H17NOS/c1-15-11-12-20-18(13-15)22(17-9-5-6-10-19(17)23-20)25-14-21(24)16-7-3-2-4-8-16/h2-13H,14H2,1H3
InChIKey
HHWGQVOMQSRJLE-UHFFFAOYSA-N
Compound name
2-(2-methylacridin-9-yl)sulfanyl-1-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.1031 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.11038 178.0
[M+Na]+ 366.09232 196.9
[M+NH4]+ 361.13692 188.5
[M+K]+ 382.06626 183.9
[M-H]- 342.09582 185.1
[M+Na-2H]- 364.07777 189.0
[M]+ 343.10255 183.7
[M]- 343.10365 183.7
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.