CID 11523681

Chembl198402

Structural Information

Molecular Formula
C21H20N4O3
SMILES
CC(=O)NC1=CC(=CC=C1)NC(=O)NC2=C(C=CC=N2)OCC3=CC=CC=C3
InChI
InChI=1S/C21H20N4O3/c1-15(26)23-17-9-5-10-18(13-17)24-21(27)25-20-19(11-6-12-22-20)28-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,23,26)(H2,22,24,25,27)
InChIKey
BJFRPDPYFAOZFB-UHFFFAOYSA-N
Compound name
N-[3-[(3-phenylmethoxypyridin-2-yl)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]+ 377.16081 188.0
[M+Na]+ 399.14275 191.6
[M-H]- 375.14625 196.0
[M+NH4]+ 394.18735 196.6
[M+K]+ 415.11669 187.3
[M+H-H2O]+ 359.15079 176.6
[M+HCOO]- 421.15173 211.9
[M+CH3COO]- 435.16738 223.7
[M+Na-2H]- 397.12820 193.0
[M]+ 376.15298 187.3
[M]- 376.15408 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.