CID 251796

Nsc72662

Structural Information

Molecular Formula
C23H19N3O3
SMILES
COC(=O)C1=CC=CC=C1NC(C2=C(C3=C(C=CC=N3)C=C2)O)C4=CC=CC=N4
InChI
InChI=1S/C23H19N3O3/c1-29-23(28)16-8-2-3-9-18(16)26-21(19-10-4-5-13-24-19)17-12-11-15-7-6-14-25-20(15)22(17)27/h2-14,21,26-27H,1H3
InChIKey
IQOLIHFRRWCPED-UHFFFAOYSA-N
Compound name
methyl 2-[[(8-hydroxyquinolin-7-yl)-pyridin-2-ylmethyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.14264 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.14992 191.4
[M+Na]+ 408.13186 197.1
[M-H]- 384.13536 197.7
[M+NH4]+ 403.17646 199.0
[M+K]+ 424.10580 191.2
[M+H-H2O]+ 368.13990 179.7
[M+HCOO]- 430.14084 208.9
[M+CH3COO]- 444.15649 199.6
[M+Na-2H]- 406.11731 196.3
[M]+ 385.14209 191.2
[M]- 385.14319 191.2
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.