CID 488709

9-hexylsulfanylacridine

Structural Information

Molecular Formula
C19H21NS
SMILES
CCCCCCSC1=C2C=CC=CC2=NC3=CC=CC=C31
InChI
InChI=1S/C19H21NS/c1-2-3-4-9-14-21-19-15-10-5-7-12-17(15)20-18-13-8-6-11-16(18)19/h5-8,10-13H,2-4,9,14H2,1H3
InChIKey
ZLNJOZDEYCSFNC-UHFFFAOYSA-N
Compound name
9-hexylsulfanylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

295.13947 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14675 167.1
[M+Na]+ 318.12869 176.3
[M-H]- 294.13219 170.9
[M+NH4]+ 313.17329 184.3
[M+K]+ 334.10263 169.4
[M+H-H2O]+ 278.13673 159.1
[M+HCOO]- 340.13767 183.1
[M+CH3COO]- 354.15332 178.5
[M+Na-2H]- 316.11414 173.2
[M]+ 295.13892 172.9
[M]- 295.14002 172.9
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.