CID 98052

3571-26-4

Structural Information

Molecular Formula
C24H20N2O3
SMILES
COC(=O)C1=CC=CC=C1NC(C2=CC=CC=C2)C3=C(C4=C(C=CC=N4)C=C3)O
InChI
InChI=1S/C24H20N2O3/c1-29-24(28)18-11-5-6-12-20(18)26-21(16-8-3-2-4-9-16)19-14-13-17-10-7-15-25-22(17)23(19)27/h2-15,21,26-27H,1H3
InChIKey
ZPJOAKSLQZOQOG-UHFFFAOYSA-N
Compound name
methyl 2-[[(8-hydroxyquinolin-7-yl)-phenylmethyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

384.1474 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.154676 191.7
[M+Na]+ 407.136618 197.0
[M-H]- 383.140124 199.2
[M+NH4]+ 402.181223 200.8
[M+K]+ 423.110558 191.3
[M+H-H2O]+ 367.144660 180.6
[M+HCOO]- 429.145601 210.3
[M+CH3COO]- 443.161251 200.3
[M+Na-2H]- 405.122066 195.8
[M]+ 384.14685142 191.3
[M]- 384.14794858 191.3
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