CID 39930

P-(9-acridinylamino)benzoic acid methyl ester hydrochloride

Structural Information

Molecular Formula
C21H16N2O2
SMILES
COC(=O)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C21H16N2O2/c1-25-21(24)14-10-12-15(13-11-14)22-20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3,(H,22,23)
InChIKey
MLKVTCNOWUQOQC-UHFFFAOYSA-N
Compound name
methyl 4-(acridin-9-ylamino)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

328.1212 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 176.1
[M+Na]+ 351.11042 184.9
[M-H]- 327.11392 183.5
[M+NH4]+ 346.15502 190.0
[M+K]+ 367.08436 178.8
[M+H-H2O]+ 311.11846 165.9
[M+HCOO]- 373.11940 197.9
[M+CH3COO]- 387.13505 187.2
[M+Na-2H]- 349.09587 184.8
[M]+ 328.12065 178.5
[M]- 328.12175 178.5
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

No patent data available for this compound.