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

2
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

literature stripe

Patent stripe

patents stripe