CID 374700

Nsc652884

Structural Information

Molecular Formula
C19H22N4O3
SMILES
CC1=CC=C(C2=C(C3=CC=CC=C3N=C12)NCCC[N+](C)(C)[O-])[N+](=O)[O-]
InChI
InChI=1S/C19H22N4O3/c1-13-9-10-16(22(24)25)17-18(13)21-15-8-5-4-7-14(15)19(17)20-11-6-12-23(2,3)26/h4-5,7-10H,6,11-12H2,1-3H3,(H,20,21)
InChIKey
JOKMJZADLAEFNT-UHFFFAOYSA-N
Compound name
N,N-dimethyl-3-[(4-methyl-1-nitroacridin-9-yl)amino]propan-1-amine oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

354.1692 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.17648 180.5
[M+Na]+ 377.15842 185.9
[M-H]- 353.16192 184.5
[M+NH4]+ 372.20302 192.2
[M+K]+ 393.13236 172.7
[M+H-H2O]+ 337.16646 180.5
[M+HCOO]- 399.16740 202.0
[M+CH3COO]- 413.18305 210.4
[M+Na-2H]- 375.14387 193.4
[M]+ 354.16865 180.0
[M]- 354.16975 180.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.