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 188.1
[M+Na]+ 412.07446 200.0
[M-H]- 388.07796 192.0
[M+NH4]+ 407.11906 202.3
[M+K]+ 428.04840 193.0
[M+H-H2O]+ 372.08250 182.2
[M+HCOO]- 434.08344 195.7
[M+CH3COO]- 448.09909 219.0
[M+Na-2H]- 410.05991 190.6
[M]+ 389.08469 198.0
[M]- 389.08579 198.0
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