CID 115023

Entozon

Structural Information

Molecular Formula
C22H28N4O5
SMILES
CCN(CC)CC(CNC1=C2C=CC(=CC2=NC3=CC(=C(C=C31)OC)OC)[N+](=O)[O-])O
InChI
InChI=1S/C22H28N4O5/c1-5-25(6-2)13-15(27)12-23-22-16-8-7-14(26(28)29)9-18(16)24-19-11-21(31-4)20(30-3)10-17(19)22/h7-11,15,27H,5-6,12-13H2,1-4H3,(H,23,24)
InChIKey
CUFPWHJUFXFYBJ-UHFFFAOYSA-N
Compound name
1-(diethylamino)-3-[(2,3-dimethoxy-6-nitroacridin-9-yl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

8
Patents

428.20596 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.21324 200.3
[M+Na]+ 451.19518 204.5
[M-H]- 427.19868 204.0
[M+NH4]+ 446.23978 209.2
[M+K]+ 467.16912 198.0
[M+H-H2O]+ 411.20322 194.6
[M+HCOO]- 473.20416 221.0
[M+CH3COO]- 487.21981 232.8
[M+Na-2H]- 449.18063 206.4
[M]+ 428.20541 205.8
[M]- 428.20651 205.8
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