CID 29930

Acridine, 9-((3-(dimethylamino)propyl)amino)-1-nitro-, n-oxide, dihydrochloride

Structural Information

Molecular Formula
C18H20N4O3
SMILES
CN(C)CCCN=C1C2=CC=CC=C2N(C3=C1C(=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C18H20N4O3/c1-20(2)12-6-11-19-18-13-7-3-4-8-14(13)21(23)15-9-5-10-16(17(15)18)22(24)25/h3-5,7-10,23H,6,11-12H2,1-2H3
InChIKey
NSGZJBAQTHSOKY-UHFFFAOYSA-N
Compound name
3-[(10-hydroxy-1-nitroacridin-9-ylidene)amino]-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

340.15353 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16081 175.9
[M+Na]+ 363.14275 183.0
[M-H]- 339.14625 181.6
[M+NH4]+ 358.18735 189.4
[M+K]+ 379.11669 175.2
[M+H-H2O]+ 323.15079 170.9
[M+HCOO]- 385.15173 200.6
[M+CH3COO]- 399.16738 215.7
[M+Na-2H]- 361.12820 185.7
[M]+ 340.15298 178.8
[M]- 340.15408 178.8
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.