CID 384250

Nsc673796

Structural Information

Molecular Formula
C20H25N5O3
SMILES
CN(C)CCNCCNC1=C2C=C(C=CC2=NC3=C1C(=CC=C3)[N+](=O)[O-])OC
InChI
InChI=1S/C20H25N5O3/c1-24(2)12-11-21-9-10-22-20-15-13-14(28-3)7-8-16(15)23-17-5-4-6-18(19(17)20)25(26)27/h4-8,13,21H,9-12H2,1-3H3,(H,22,23)
InChIKey
YQEYGHOCVGTTSK-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-N'-(7-methoxy-1-nitroacridin-9-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

383.19574 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.20302 186.9
[M+Na]+ 406.18496 191.6
[M-H]- 382.18846 191.9
[M+NH4]+ 401.22956 198.1
[M+K]+ 422.15890 184.2
[M+H-H2O]+ 366.19300 181.0
[M+HCOO]- 428.19394 211.6
[M+CH3COO]- 442.20959 228.1
[M+Na-2H]- 404.17041 196.5
[M]+ 383.19519 190.4
[M]- 383.19629 190.4
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.