CID 383906

Nsc672822

Structural Information

Molecular Formula
C20H24N4O3
SMILES
CC(C)(CCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-])[N+](C)(C)[O-]
InChI
InChI=1S/C20H24N4O3/c1-20(2,24(3,4)27)12-13-21-19-14-8-5-6-9-15(14)22-16-10-7-11-17(18(16)19)23(25)26/h5-11H,12-13H2,1-4H3,(H,21,22)
InChIKey
ONFHMDDLANECIN-UHFFFAOYSA-N
Compound name
N,N,2-trimethyl-4-[(1-nitroacridin-9-yl)amino]butan-2-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.18484 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19212 183.9
[M+Na]+ 391.17406 188.4
[M-H]- 367.17756 187.8
[M+NH4]+ 386.21866 194.8
[M+K]+ 407.14800 175.6
[M+H-H2O]+ 351.18210 184.2
[M+HCOO]- 413.18304 203.6
[M+CH3COO]- 427.19869 212.4
[M+Na-2H]- 389.15951 198.7
[M]+ 368.18429 182.9
[M]- 368.18539 182.9
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.