CID 11574097

Chembl201718

Structural Information

Molecular Formula
C20H18N4O3
SMILES
C1=CC=C(C=C1)COC2=C(N=CC=C2)NC(=O)NC3=CC=C(C=C3)C(=O)N
InChI
InChI=1S/C20H18N4O3/c21-18(25)15-8-10-16(11-9-15)23-20(26)24-19-17(7-4-12-22-19)27-13-14-5-2-1-3-6-14/h1-12H,13H2,(H2,21,25)(H2,22,23,24,26)
InChIKey
TWCYUPDQSZQMLM-UHFFFAOYSA-N
Compound name
4-[(3-phenylmethoxypyridin-2-yl)carbamoylamino]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

362.13788 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.14516 183.6
[M+Na]+ 385.12710 187.7
[M-H]- 361.13060 191.3
[M+NH4]+ 380.17170 192.5
[M+K]+ 401.10104 183.3
[M+H-H2O]+ 345.13514 172.5
[M+HCOO]- 407.13608 207.3
[M+CH3COO]- 421.15173 220.9
[M+Na-2H]- 383.11255 188.2
[M]+ 362.13733 181.8
[M]- 362.13843 181.8
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.