CID 3110933

9-chloro-2-ethoxy-6-nitroacridine

Structural Information

Molecular Formula
C15H11ClN2O3
SMILES
CCOC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)Cl
InChI
InChI=1S/C15H11ClN2O3/c1-2-21-10-4-6-13-12(8-10)15(16)11-5-3-9(18(19)20)7-14(11)17-13/h3-8H,2H2,1H3
InChIKey
YMTUIACUSNJPBV-UHFFFAOYSA-N
Compound name
9-chloro-2-ethoxy-6-nitroacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

302.0458 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.05308 164.0
[M+Na]+ 325.03502 174.4
[M-H]- 301.03852 168.6
[M+NH4]+ 320.07962 180.1
[M+K]+ 341.00896 165.1
[M+H-H2O]+ 285.04306 161.2
[M+HCOO]- 347.04400 182.6
[M+CH3COO]- 361.05965 198.9
[M+Na-2H]- 323.02047 174.0
[M]+ 302.04525 169.3
[M]- 302.04635 169.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe