CID 384257

Nsc673803

Structural Information

Molecular Formula
C21H26N4O5
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)NCCCN(CCO)CCO
InChI
InChI=1S/C21H26N4O5/c1-30-16-4-6-19-18(14-16)21(22-7-2-8-24(9-11-26)10-12-27)17-5-3-15(25(28)29)13-20(17)23-19/h3-6,13-14,26-27H,2,7-12H2,1H3,(H,22,23)
InChIKey
TUHARUHHSBFVAD-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[3-[(2-methoxy-6-nitroacridin-9-yl)amino]propyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.1903 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.19758 193.2
[M+Na]+ 437.17952 196.9
[M-H]- 413.18302 195.4
[M+NH4]+ 432.22412 201.8
[M+K]+ 453.15346 189.1
[M+H-H2O]+ 397.18756 187.6
[M+HCOO]- 459.18850 213.9
[M+CH3COO]- 473.20415 225.5
[M+Na-2H]- 435.16497 201.4
[M]+ 414.18975 196.9
[M]- 414.19085 196.9
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.