CID 408297

5409-68-7

Structural Information

Molecular Formula
C21H15ClN2O4
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)NC4=CC(=C(C=C4)C(=O)O)O
InChI
InChI=1S/C21H15ClN2O4/c1-28-13-4-7-17-16(10-13)20(14-5-2-11(22)8-18(14)24-17)23-12-3-6-15(21(26)27)19(25)9-12/h2-10,25H,1H3,(H,23,24)(H,26,27)
InChIKey
PLQLHEGROOQNRO-UHFFFAOYSA-N
Compound name
4-[(6-chloro-2-methoxyacridin-9-yl)amino]-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

394.07202 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.07930 188.3
[M+Na]+ 417.06124 199.1
[M-H]- 393.06474 193.9
[M+NH4]+ 412.10584 199.7
[M+K]+ 433.03518 192.3
[M+H-H2O]+ 377.06928 179.7
[M+HCOO]- 439.07022 202.9
[M+CH3COO]- 453.08587 198.4
[M+Na-2H]- 415.04669 193.9
[M]+ 394.07147 194.1
[M]- 394.07257 194.1
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.