CID 21211

Methyl 9-acridinecarboxylate

Structural Information

Molecular Formula
C15H11NO2
SMILES
COC(=O)C1=C2C=CC=CC2=NC3=CC=CC=C31
InChI
InChI=1S/C15H11NO2/c1-18-15(17)14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3
InChIKey
PGWHWYBRRVQFCI-UHFFFAOYSA-N
Compound name
methyl acridine-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

237.07898 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.08626 150.1
[M+Na]+ 260.06820 160.4
[M-H]- 236.07170 154.8
[M+NH4]+ 255.11280 168.6
[M+K]+ 276.04214 156.2
[M+H-H2O]+ 220.07624 142.2
[M+HCOO]- 282.07718 171.9
[M+CH3COO]- 296.09283 163.4
[M+Na-2H]- 258.05365 159.8
[M]+ 237.07843 153.6
[M]- 237.07953 153.6
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