CID 384654

Nsc674699

Structural Information

Molecular Formula
C20H25N5O2
SMILES
CN(C)CCNCCCNC1=C2C(=NC3=CC=CC=C31)C=CC=C2[N+](=O)[O-]
InChI
InChI=1S/C20H25N5O2/c1-24(2)14-13-21-11-6-12-22-20-15-7-3-4-8-16(15)23-17-9-5-10-18(19(17)20)25(26)27/h3-5,7-10,21H,6,11-14H2,1-2H3,(H,22,23)
InChIKey
NTEFHWSDYCVUDW-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-N'-(1-nitroacridin-9-yl)propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

367.20084 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.20812 182.8
[M+Na]+ 390.19006 187.0
[M-H]- 366.19356 187.5
[M+NH4]+ 385.23466 194.5
[M+K]+ 406.16400 178.8
[M+H-H2O]+ 350.19810 177.1
[M+HCOO]- 412.19904 207.5
[M+CH3COO]- 426.21469 224.8
[M+Na-2H]- 388.17551 193.0
[M]+ 367.20029 184.7
[M]- 367.20139 184.7
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.