CID 356477

Nsc612414

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CN(C)CCCSC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C18H19N3O2S/c1-20(2)11-6-12-24-18-13-7-3-4-8-14(13)19-15-9-5-10-16(17(15)18)21(22)23/h3-5,7-10H,6,11-12H2,1-2H3
InChIKey
DDLHGBGXYVQLER-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-(1-nitroacridin-9-yl)sulfanylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1198 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.127076 175.3
[M+Na]+ 364.109018 182.1
[M-H]- 340.112524 180.4
[M+NH4]+ 359.153623 189.4
[M+K]+ 380.082958 173.2
[M+H-H2O]+ 324.117060 170.8
[M+HCOO]- 386.118001 193.5
[M+CH3COO]- 400.133651 212.6
[M+Na-2H]- 362.094466 182.9
[M]+ 341.11925142 179.7
[M]- 341.12034858 179.7
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.