CID 46663

64046-78-2

Structural Information

Molecular Formula
C15H12N2O2
SMILES
COC(=O)C1=CC2=C(C3=CC=CC=C3N=C2C=C1)N
InChI
InChI=1S/C15H12N2O2/c1-19-15(18)9-6-7-13-11(8-9)14(16)10-4-2-3-5-12(10)17-13/h2-8H,1H3,(H2,16,17)
InChIKey
LHERLWVEBQULCM-UHFFFAOYSA-N
Compound name
methyl 9-aminoacridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

252.08987 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.097146 154.6
[M+Na]+ 275.079088 165.0
[M-H]- 251.082594 159.1
[M+NH4]+ 270.123693 172.2
[M+K]+ 291.053028 160.5
[M+H-H2O]+ 235.087130 146.7
[M+HCOO]- 297.088071 176.8
[M+CH3COO]- 311.103721 167.4
[M+Na-2H]- 273.064536 163.1
[M]+ 252.08932142 157.0
[M]- 252.09041858 157.0
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