CID 135451145

Nsc630886

Structural Information

Molecular Formula
C15H11NO3
SMILES
CC1=NC(=C(O1)O)/C=C/2\C(=O)C=CC3=CC=CC=C32
InChI
InChI=1S/C15H11NO3/c1-9-16-13(15(18)19-9)8-12-11-5-3-2-4-10(11)6-7-14(12)17/h2-8,18H,1H3/b12-8-
InChIKey
DYJHHQVXGTWGQT-WQLSENKSSA-N
Compound name
(1Z)-1-[(5-hydroxy-2-methyl-1,3-oxazol-4-yl)methylidene]naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0739 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.08118 154.9
[M+Na]+ 276.06312 165.3
[M-H]- 252.06662 161.5
[M+NH4]+ 271.10772 171.8
[M+K]+ 292.03706 161.3
[M+H-H2O]+ 236.07116 148.0
[M+HCOO]- 298.07210 175.4
[M+CH3COO]- 312.08775 168.0
[M+Na-2H]- 274.04857 159.2
[M]+ 253.07335 156.2
[M]- 253.07445 156.2
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.