CID 3075345

176915-36-9

Structural Information

Molecular Formula
C20H24N4O3
SMILES
CC1=C2C(=CC=C1)C(=C3C(=CC=C(C3=N2)C)[N+](=O)[O-])N(CCCN(C)C)O
InChI
InChI=1S/C20H24N4O3/c1-13-7-5-8-15-18(13)21-19-14(2)9-10-16(24(26)27)17(19)20(15)23(25)12-6-11-22(3)4/h5,7-10,25H,6,11-12H2,1-4H3
InChIKey
HGNDLPHHCUVEQS-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-N-(4,5-dimethyl-1-nitroacridin-9-yl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18484 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 186.0
[M+Na]+ 391.17406 200.3
[M+NH4]+ 386.21866 193.4
[M+K]+ 407.14800 195.7
[M-H]- 367.17756 191.6
[M+Na-2H]- 389.15951 191.7
[M]+ 368.18429 189.6
[M]- 368.18539 189.6
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.