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]+ 342.12708 175.3
[M+Na]+ 364.10902 182.1
[M-H]- 340.11252 180.4
[M+NH4]+ 359.15362 189.4
[M+K]+ 380.08296 173.2
[M+H-H2O]+ 324.11706 170.8
[M+HCOO]- 386.11800 193.5
[M+CH3COO]- 400.13365 212.6
[M+Na-2H]- 362.09447 182.9
[M]+ 341.11925 179.7
[M]- 341.12035 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.