CID 71202

Botiacrine

Structural Information

Molecular Formula
C20H24N2OS
SMILES
CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)C)C
InChI
InChI=1S/C20H24N2OS/c1-20(2)15-9-5-7-11-17(15)22(18-12-8-6-10-16(18)20)19(23)24-14-13-21(3)4/h5-12H,13-14H2,1-4H3
InChIKey
QXRUCDDVUMKOPI-UHFFFAOYSA-N
Compound name
S-[2-(dimethylamino)ethyl] 9,9-dimethylacridine-10-carbothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
Patents

340.16095 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16823 179.8
[M+Na]+ 363.15017 187.1
[M-H]- 339.15367 184.4
[M+NH4]+ 358.19477 197.2
[M+K]+ 379.12411 182.7
[M+H-H2O]+ 323.15821 171.7
[M+HCOO]- 385.15915 193.1
[M+CH3COO]- 399.17480 217.9
[M+Na-2H]- 361.13562 183.2
[M]+ 340.16040 184.4
[M]- 340.16150 184.4
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