CID 246544

9-chloro-6,7-dimethoxy-3-nitroacridine

Structural Information

Molecular Formula
C15H11ClN2O4
SMILES
COC1=C(C=C2C(=C1)C(=C3C=CC(=CC3=N2)[N+](=O)[O-])Cl)OC
InChI
InChI=1S/C15H11ClN2O4/c1-21-13-6-10-12(7-14(13)22-2)17-11-5-8(18(19)20)3-4-9(11)15(10)16/h3-7H,1-2H3
InChIKey
JTUBTXLHWQGBAT-UHFFFAOYSA-N
Compound name
9-chloro-2,3-dimethoxy-6-nitroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.04074 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.04802 167.1
[M+Na]+ 341.02996 178.1
[M-H]- 317.03346 172.0
[M+NH4]+ 336.07456 182.7
[M+K]+ 357.00390 169.6
[M+H-H2O]+ 301.03800 164.3
[M+HCOO]- 363.03894 185.8
[M+CH3COO]- 377.05459 202.2
[M+Na-2H]- 339.01541 176.6
[M]+ 318.04019 174.1
[M]- 318.04129 174.1
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