CID 138657983

Snx281

Structural Information

Molecular Formula
C20H20ClNO3S
SMILES
CC(C)(C)C1=CC2=C(C=C1)C(=O)C3=C(N2CC(=O)O)C(=C(C=C3)Cl)SC
InChI
InChI=1S/C20H20ClNO3S/c1-20(2,3)11-5-6-12-15(9-11)22(10-16(23)24)17-13(18(12)25)7-8-14(21)19(17)26-4/h5-9H,10H2,1-4H3,(H,23,24)
InChIKey
CLGJCTXUWJLYHO-UHFFFAOYSA-N
Compound name
2-(6-tert-butyl-3-chloro-4-methylsulfanyl-9-oxoacridin-10-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

389.08524 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.09252 192.1
[M+Na]+ 412.07446 208.2
[M+NH4]+ 407.11906 199.9
[M+K]+ 428.04840 198.2
[M-H]- 388.07796 194.1
[M+Na-2H]- 410.05991 196.9
[M]+ 389.08469 196.1
[M]- 389.08579 196.1
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

patents stripe