CID 378851

Nsc662191

Structural Information

Molecular Formula
C18H20N4O3
SMILES
CN(C)CCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C18H20N4O3/c1-21(2)10-9-19-18-13-11-12(25-3)7-8-14(13)20-15-5-4-6-16(17(15)18)22(23)24/h4-8,11H,9-10H2,1-3H3,(H,19,20)
InChIKey
FGQDRDARUWHKTA-UHFFFAOYSA-N
Compound name
N-(7-methoxy-1-nitroacridin-9-yl)-N',N'-dimethylethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

340.15353 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16081 176.3
[M+Na]+ 363.14275 182.9
[M-H]- 339.14625 181.8
[M+NH4]+ 358.18735 189.7
[M+K]+ 379.11669 175.8
[M+H-H2O]+ 323.15079 171.2
[M+HCOO]- 385.15173 200.8
[M+CH3COO]- 399.16738 217.2
[M+Na-2H]- 361.12820 186.0
[M]+ 340.15298 179.9
[M]- 340.15408 179.9
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

patents stripe