CID 6477906

Nsc682796

Structural Information

Molecular Formula
C15H15NO3
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=C2C=CC=C2)O
InChI
InChI=1S/C15H15NO3/c1-2-19-15(18)12-7-9-13(10-8-12)16-14(17)11-5-3-4-6-11/h3-10,16-17H,2H2,1H3
InChIKey
HMZIQLYBZCDVND-UHFFFAOYSA-N
Compound name
ethyl 4-[[cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.11248 159.2
[M+Na]+ 280.09442 164.7
[M-H]- 256.09792 164.6
[M+NH4]+ 275.13902 176.4
[M+K]+ 296.06836 161.4
[M+H-H2O]+ 240.10246 152.1
[M+HCOO]- 302.10340 182.6
[M+CH3COO]- 316.11905 193.3
[M+Na-2H]- 278.07987 161.0
[M]+ 257.10465 158.6
[M]- 257.10575 158.6
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.