CID 459798

6-chloro-2-methoxy-9-(1-pyrryl)acridine

Structural Information

Molecular Formula
C18H13ClN2O
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)N4C=CC=C4
InChI
InChI=1S/C18H13ClN2O/c1-22-13-5-7-16-15(11-13)18(21-8-2-3-9-21)14-6-4-12(19)10-17(14)20-16/h2-11H,1H3
InChIKey
IZTZNHWZUUBAPH-UHFFFAOYSA-N
Compound name
6-chloro-2-methoxy-9-pyrrol-1-ylacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.07166 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.07894 170.3
[M+Na]+ 331.06088 183.2
[M-H]- 307.06438 177.0
[M+NH4]+ 326.10548 187.5
[M+K]+ 347.03482 175.6
[M+H-H2O]+ 291.06892 161.3
[M+HCOO]- 353.06986 187.7
[M+CH3COO]- 367.08551 182.9
[M+Na-2H]- 329.04633 176.5
[M]+ 308.07111 176.5
[M]- 308.07221 176.5
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.