CID 134777

18995-99-8

Structural Information

Molecular Formula
C20H24N4O2
SMILES
CN(C)CCCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C20H24N4O2/c1-23(2)14-7-3-6-13-21-20-15-9-4-5-10-16(15)22-17-11-8-12-18(19(17)20)24(25)26/h4-5,8-12H,3,6-7,13-14H2,1-2H3,(H,21,22)
InChIKey
WYLQXVOPFMBFJQ-UHFFFAOYSA-N
Compound name
N',N'-dimethyl-N-(1-nitroacridin-9-yl)pentane-1,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

352.1899 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.197176 182.1
[M+Na]+ 375.179118 187.2
[M-H]- 351.182624 186.8
[M+NH4]+ 370.223723 194.8
[M+K]+ 391.153058 178.8
[M+H-H2O]+ 335.187160 176.5
[M+HCOO]- 397.188101 205.7
[M+CH3COO]- 411.203751 219.8
[M+Na-2H]- 373.164566 191.2
[M]+ 352.18935142 184.6
[M]- 352.19044858 184.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe