CID 165646214

4-{[(4-methyl-2-oxo-2h-chromen-7-yl)oxy]methyl}-n-[2-({[(pyridin-2-yl)methyl]carbamoyl}amino)ethyl]benzamide

Structural Information

Molecular Formula
C27H26N4O5
SMILES
CC1=CC(=O)OC2=C1C=CC(=C2)OCC3=CC=C(C=C3)C(=O)NCCNC(=O)NCC4=CC=CC=N4
InChI
InChI=1S/C27H26N4O5/c1-18-14-25(32)36-24-15-22(9-10-23(18)24)35-17-19-5-7-20(8-6-19)26(33)29-12-13-30-27(34)31-16-21-4-2-3-11-28-21/h2-11,14-15H,12-13,16-17H2,1H3,(H,29,33)(H2,30,31,34)
InChIKey
SLNRXWZWCMWQLU-UHFFFAOYSA-N
Compound name
4-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-N-[2-(pyridin-2-ylmethylcarbamoylamino)ethyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.1903 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.19758 217.5
[M+Na]+ 509.17952 221.2
[M-H]- 485.18302 226.7
[M+NH4]+ 504.22412 221.1
[M+K]+ 525.15346 217.7
[M+H-H2O]+ 469.18756 204.5
[M+HCOO]- 531.18850 238.1
[M+CH3COO]- 545.20415 246.1
[M+Na-2H]- 507.16497 221.8
[M]+ 486.18975 220.8
[M]- 486.19085 220.8
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.