CID 3075337

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

Structural Information

Molecular Formula
C19H22N4O4
SMILES
CN(C)CCCN(C1=C2C(=CC=C(C2=NC3=CC=CC=C31)OC)[N+](=O)[O-])O
InChI
InChI=1S/C19H22N4O4/c1-21(2)11-6-12-22(24)19-13-7-4-5-8-14(13)20-18-16(27-3)10-9-15(17(18)19)23(25)26/h4-5,7-10,24H,6,11-12H2,1-3H3
InChIKey
LNCXPKMNRIADDT-UHFFFAOYSA-N
Compound name
N-[3-(dimethylamino)propyl]-N-(4-methoxy-1-nitroacridin-9-yl)hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.1641 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.171376 183.7
[M+Na]+ 393.153318 189.2
[M-H]- 369.156824 189.1
[M+NH4]+ 388.197923 195.6
[M+K]+ 409.127258 183.2
[M+H-H2O]+ 353.161360 178.3
[M+HCOO]- 415.162301 206.9
[M+CH3COO]- 429.177951 223.0
[M+Na-2H]- 391.138766 192.1
[M]+ 370.16355142 188.3
[M]- 370.16464858 188.3
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.