CID 384247

Nsc673793

Structural Information

Molecular Formula
C20H24N4O5
SMILES
COC1=CC2=C(C3=C(C=CC=C3[N+](=O)[O-])N=C2C=C1)NCCN(CCO)CCO
InChI
InChI=1S/C20H24N4O5/c1-29-14-5-6-16-15(13-14)20(21-7-8-23(9-11-25)10-12-26)19-17(22-16)3-2-4-18(19)24(27)28/h2-6,13,25-26H,7-12H2,1H3,(H,21,22)
InChIKey
FSFCSVVEPROIAI-UHFFFAOYSA-N
Compound name
2-[2-hydroxyethyl-[2-[(7-methoxy-1-nitroacridin-9-yl)amino]ethyl]amino]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.17468 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.181956 188.5
[M+Na]+ 423.163898 192.8
[M-H]- 399.167404 191.0
[M+NH4]+ 418.208503 197.8
[M+K]+ 439.137838 185.2
[M+H-H2O]+ 383.171940 183.2
[M+HCOO]- 445.172881 209.7
[M+CH3COO]- 459.188531 222.5
[M+Na-2H]- 421.149346 197.3
[M]+ 400.17413142 192.0
[M]- 400.17522858 192.0
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