CID 24208993

853329-51-8

Structural Information

Molecular Formula
C21H26N2O2S
SMILES
CC1=CSC(=N1)C2C3=C(CC(CC3=O)(C)C)NC4=C2C(=O)CC(C4)(C)C
InChI
InChI=1S/C21H26N2O2S/c1-11-10-26-19(22-11)18-16-12(6-20(2,3)8-14(16)24)23-13-7-21(4,5)9-15(25)17(13)18/h10,18,23H,6-9H2,1-5H3
InChIKey
BBNICTQESPIILC-UHFFFAOYSA-N
Compound name
3,3,6,6-tetramethyl-9-(4-methyl-1,3-thiazol-2-yl)-2,4,5,7,9,10-hexahydroacridine-1,8-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1715 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.178776 187.0
[M+Na]+ 393.160718 196.5
[M-H]- 369.164224 191.2
[M+NH4]+ 388.205323 205.0
[M+K]+ 409.134658 189.9
[M+H-H2O]+ 353.168760 180.2
[M+HCOO]- 415.169701 193.7
[M+CH3COO]- 429.185351 196.2
[M+Na-2H]- 391.146166 185.3
[M]+ 370.17095142 186.7
[M]- 370.17204858 186.7
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.