CID 384254

Nsc673800

Structural Information

Molecular Formula
C18H20N4O3
SMILES
CNCCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C18H20N4O3/c1-19-9-4-10-20-18-13-11-12(25-2)7-8-14(13)21-15-5-3-6-16(17(15)18)22(23)24/h3,5-8,11,19H,4,9-10H2,1-2H3,(H,20,21)
InChIKey
JXRWAHJYIDKLGB-UHFFFAOYSA-N
Compound name
N'-(7-methoxy-1-nitroacridin-9-yl)-N-methylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.15353 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.16081 175.1
[M+Na]+ 363.14275 181.7
[M-H]- 339.14625 179.3
[M+NH4]+ 358.18735 187.9
[M+K]+ 379.11669 173.1
[M+H-H2O]+ 323.15079 170.2
[M+HCOO]- 385.15173 199.2
[M+CH3COO]- 399.16738 213.9
[M+Na-2H]- 361.12820 185.8
[M]+ 340.15298 177.7
[M]- 340.15408 177.7
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.