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]+ 258.112476 159.2
[M+Na]+ 280.094418 164.7
[M-H]- 256.097924 164.6
[M+NH4]+ 275.139023 176.4
[M+K]+ 296.068358 161.4
[M+H-H2O]+ 240.102460 152.1
[M+HCOO]- 302.103401 182.6
[M+CH3COO]- 316.119051 193.3
[M+Na-2H]- 278.079866 161.0
[M]+ 257.10465142 158.6
[M]- 257.10574858 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.