CID 32267

Dtxsid90947096

Structural Information

Molecular Formula
C18H19N3O3
SMILES
CN(C)CCCN1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C31
InChI
InChI=1S/C18H19N3O3/c1-19(2)11-6-12-20-14-8-4-3-7-13(14)18(22)17-15(20)9-5-10-16(17)21(23)24/h3-5,7-10H,6,11-12H2,1-2H3
InChIKey
YQXLLRDBDNSHGZ-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)propyl]-1-nitroacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.14264 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.149916 173.7
[M+Na]+ 348.131858 181.6
[M-H]- 324.135364 179.4
[M+NH4]+ 343.176463 188.1
[M+K]+ 364.105798 173.7
[M+H-H2O]+ 308.139900 168.9
[M+HCOO]- 370.140841 197.4
[M+CH3COO]- 384.156491 211.5
[M+Na-2H]- 346.117306 182.6
[M]+ 325.14209142 177.3
[M]- 325.14318858 177.3
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.