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
3
Annotation Hits

6
References

223
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 187.0
[M+Na]+ 374.09992 195.1
[M-H]- 350.10342 189.7
[M+NH4]+ 369.14452 196.9
[M+K]+ 390.07386 189.1
[M+H-H2O]+ 334.10796 172.7
[M+HCOO]- 396.10890 202.5
[M+CH3COO]- 410.12455 217.7
[M+Na-2H]- 372.08537 185.9
[M]+ 351.11015 183.5
[M]- 351.11125 183.5
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.