CID 23648966

Ft011

Structural Information

Molecular Formula
C20H17NO5
SMILES
COC1=C(C=CC(=C1)/C=C/C(=O)NC2=CC=CC=C2C(=O)O)OCC#C
InChI
InChI=1S/C20H17NO5/c1-3-12-26-17-10-8-14(13-18(17)25-2)9-11-19(22)21-16-7-5-4-6-15(16)20(23)24/h1,4-11,13H,12H2,2H3,(H,21,22)(H,23,24)/b11-9+
InChIKey
UIWZIDIJCUEOMT-PKNBQFBNSA-N
Compound name
2-[[(E)-3-(3-methoxy-4-prop-2-ynoxyphenyl)prop-2-enoyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

178
Patents

351.1107 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.11798 182.1
[M+Na]+ 374.09992 192.9
[M+NH4]+ 369.14452 183.5
[M+K]+ 390.07386 184.1
[M-H]- 350.10342 175.8
[M+Na-2H]- 372.08537 184.1
[M]+ 351.11015 180.8
[M]- 351.11125 180.8
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

patents stripe