CID 167873

Nsc 295502

Structural Information

Molecular Formula
C18H21N4O3
SMILES
CN(C)CCCNC1=C2C(C=CC=C2N(C3=CC=CC=C31)[O-])[N+](=O)[O-]
InChI
InChI=1S/C18H21N4O3/c1-20(2)12-6-11-19-18-13-7-3-4-8-14(13)21(23)15-9-5-10-16(17(15)18)22(24)25/h3-5,7-10,16,19H,6,11-12H2,1-2H3/q-1
InChIKey
JSFWXRJEJGKWNV-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(1-nitro-10-oxido-1H-acridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

341.16138 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.16866 175.1
[M+Na]+ 364.15060 179.0
[M-H]- 340.15410 178.1
[M+NH4]+ 359.19520 187.3
[M+K]+ 380.12454 172.1
[M+H-H2O]+ 324.15864 172.4
[M+HCOO]- 386.15958 195.9
[M+CH3COO]- 400.17523 215.0
[M+Na-2H]- 362.13605 182.2
[M]+ 341.16083 173.4
[M]- 341.16193 173.4
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.