CID 376825

176915-31-4

Structural Information

Molecular Formula
C20H24N4O4
SMILES
CN(C)CCCNC1=C2C(=C(C=C(C2=NC3=CC=CC=C31)OC)OC)[N+](=O)[O-]
InChI
InChI=1S/C20H24N4O4/c1-23(2)11-7-10-21-18-13-8-5-6-9-14(13)22-19-15(27-3)12-16(28-4)20(17(18)19)24(25)26/h5-6,8-9,12H,7,10-11H2,1-4H3,(H,21,22)
InChIKey
UUHCTQRUDHLPTD-UHFFFAOYSA-N
Compound name
N-(2,4-dimethoxy-1-nitroacridin-9-yl)-N',N'-dimethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.17975 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.187026 189.5
[M+Na]+ 407.168968 195.8
[M-H]- 383.172474 195.0
[M+NH4]+ 402.213573 201.2
[M+K]+ 423.142908 188.9
[M+H-H2O]+ 367.177010 183.9
[M+HCOO]- 429.177951 213.3
[M+CH3COO]- 443.193601 226.5
[M+Na-2H]- 405.154416 197.7
[M]+ 384.17920142 195.4
[M]- 384.18029858 195.4
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

No patent data available for this compound.