CID 380953

Nsc666736

Structural Information

Molecular Formula
C20H22N4O3
SMILES
C1COCCN1CCCNC2=C3C(=NC4=CC=CC=C42)C=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C20H22N4O3/c25-24(26)18-8-3-7-17-19(18)20(15-5-1-2-6-16(15)22-17)21-9-4-10-23-11-13-27-14-12-23/h1-3,5-8H,4,9-14H2,(H,21,22)
InChIKey
VWWYFEVGXLCSTR-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-1-nitroacridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

366.1692 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 367.17648 182.9
[M+Na]+ 389.15842 186.7
[M-H]- 365.16192 188.0
[M+NH4]+ 384.20302 191.1
[M+K]+ 405.13236 178.1
[M+H-H2O]+ 349.16646 175.5
[M+HCOO]- 411.16740 199.9
[M+CH3COO]- 425.18305 214.0
[M+Na-2H]- 387.14387 192.7
[M]+ 366.16865 180.4
[M]- 366.16975 180.4
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

patents stripe