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 179.6
[M+Na]+ 366.09232 189.3
[M-H]- 342.09582 186.8
[M+NH4]+ 361.13692 194.0
[M+K]+ 382.06626 181.8
[M+H-H2O]+ 326.10036 170.4
[M+HCOO]- 388.10130 195.1
[M+CH3COO]- 402.11695 190.4
[M+Na-2H]- 364.07777 184.9
[M]+ 343.10255 184.1
[M]- 343.10365 184.1
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.