CID 11710570

Chembl201113

Structural Information

Molecular Formula
C21H20N4O3
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)NC2=C(C=CC=N2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H20N4O3/c1-15(26)23-17-9-11-18(12-10-17)24-21(27)25-20-19(8-5-13-22-20)28-14-16-6-3-2-4-7-16/h2-13H,14H2,1H3,(H,23,26)(H2,22,24,25,27)
InChIKey
DUPYXLAIMCPQTQ-UHFFFAOYSA-N
Compound name
N-[4-[(3-phenylmethoxy-2-pyridinyl)carbamoylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

376.15353 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.160806 188.0
[M+Na]+ 399.142748 191.6
[M-H]- 375.146254 196.0
[M+NH4]+ 394.187353 196.6
[M+K]+ 415.116688 187.3
[M+H-H2O]+ 359.150790 176.6
[M+HCOO]- 421.151731 211.9
[M+CH3COO]- 435.167381 223.7
[M+Na-2H]- 397.128196 193.0
[M]+ 376.15298142 187.3
[M]- 376.15407858 187.3
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

No patent data available for this compound.