CID 3075339

1,3-propanediamine, n,n-dimethyl-n'-(4-methyl-1-nitro-9-acridinyl)-, n-oxide, dihydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1692 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.176476 180.9
[M+Na]+ 377.158418 186.8
[M-H]- 353.161924 186.3
[M+NH4]+ 372.203023 193.6
[M+K]+ 393.132358 180.0
[M+H-H2O]+ 337.166460 175.8
[M+HCOO]- 399.167401 204.1
[M+CH3COO]- 413.183051 220.9
[M+Na-2H]- 375.143866 189.0
[M]+ 354.16865142 184.3
[M]- 354.16974858 184.3
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.