CID 135411334

104582-18-5

Structural Information

Molecular Formula
C15H11NO3
SMILES
C1=CC=C2C(=C1)C(=C(C2=O)C=NCC3=CC=CO3)O
InChI
InChI=1S/C15H11NO3/c17-14-11-5-1-2-6-12(11)15(18)13(14)9-16-8-10-4-3-7-19-10/h1-7,9,17H,8H2
InChIKey
ZGBDCDFRIWVUIB-UHFFFAOYSA-N
Compound name
2-(furan-2-ylmethyliminomethyl)-3-hydroxyinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

4
Patents

253.0739 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 154.1
[M+Na]+ 276.06312 163.9
[M-H]- 252.06662 163.6
[M+NH4]+ 271.10772 174.4
[M+K]+ 292.03706 160.9
[M+H-H2O]+ 236.07116 148.5
[M+HCOO]- 298.07210 180.7
[M+CH3COO]- 312.08775 195.0
[M+Na-2H]- 274.04857 158.8
[M]+ 253.07335 158.0
[M]- 253.07445 158.0
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.