CID 6481727

N,n-diethyl-2-(1-nitroacridin-9-yl)sulfanyl-ethanamine

Structural Information

Molecular Formula
C19H21N3O2S
SMILES
CCN(CC)CCSC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C19H21N3O2S/c1-3-21(4-2)12-13-25-19-14-8-5-6-9-15(14)20-16-10-7-11-17(18(16)19)22(23)24/h5-11H,3-4,12-13H2,1-2H3
InChIKey
NQUUUKPFPWETLF-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(1-nitroacridin-9-yl)sulfanylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13544 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14272 179.9
[M+Na]+ 378.12466 186.3
[M-H]- 354.12816 184.8
[M+NH4]+ 373.16926 193.5
[M+K]+ 394.09860 177.2
[M+H-H2O]+ 338.13270 175.2
[M+HCOO]- 400.13364 197.8
[M+CH3COO]- 414.14929 215.6
[M+Na-2H]- 376.11011 187.1
[M]+ 355.13489 184.6
[M]- 355.13599 184.6
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.